1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]butan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]pentan-1-one;1-[1-benzyl-6-[(dimethylamino)methyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one

C157H165F10N7O7 — CID 158750064

IUPAC1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]butan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]pentan-1-one;1-[1-benzyl-6-[(dimethylamino)methyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one
SMILESCC(C)CCc1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(CN(C)C)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(CN3CCCC3)cc2n1Cc1ccccc1.CCCC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CCCCC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1
InChIInChI=1S/C32H34F2N2O.C32H33F2NO2.C32H35F2NO.C31H31F2NO2.C30H32F2N2O/c1-22(2)32-31(30(37)15-12-23-11-14-27(33)28(34)18-23)26-13-10-25(20-35-16-6-7-17-35)19-29(26)36(32)21-24-8-4-3-5-9-24;1-4-5-11-29(36)24-14-15-25-28(19-24)35(20-23-9-7-6-8-10-23)32(21(2)3)31(25)30(37)17-13-22-12-16-26(33)27(34)18-22;1-21(2)10-11-24-12-15-26-29(19-24)35(20-25-8-6-5-7-9-25)32(22(3)4)31(26)30(36)17-14-23-13-16-27(33)28(34)18-23;1-4-8-28(35)23-13-14-24-27(18-23)34(19-22-9-6-5-7-10-22)31(20(2)3)30(24)29(36)16-12-21-11-15-25(32)26(33)17-21;1-20(2)30-29(28(35)15-12-21-11-14-25(31)26(32)16-21)24-13-10-23(18-33(3)4)17-27(24)34(30)19-22-8-6-5-7-9-22/h3-5,8-11,13-14,18-19,22H,6-7,12,15-17,20-21H2,1-2H3;6-10,12,14-16,18-19,21H,4-5,11,13,17,20H2,1-3H3;5-9,12-13,15-16,18-19,21-22H,10-11,14,17,20H2,1-4H3;5-7,9-11,13-15,17-18,20H,4,8,12,16,19H2,1-3H3;5-11,13-14,16-17,20H,12,15,18-19H2,1-4H3
InChIKeyINJBLZFFJUNLKR-UHFFFAOYSA-N
MW2452.07 g/mol
LogP39.14
Rot. Bonds49

About 1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]butan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]pentan-1-one;1-[1-benzyl-6-[(dimethylamino)methyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one

1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]butan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]pentan-1-one;1-[1-benzyl-6-[(dimethylamino)methyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one (PubChem CID 158750064) has the molecular formula C157H165F10N7O7 and a molecular weight of 2452.07 g/mol. Its IUPAC name is 1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]butan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]pentan-1-one;1-[1-benzyl-6-[(dimethylamino)methyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]butan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]pentan-1-one;1-[1-benzyl-6-[(dimethylamino)methyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one
PubChem CID158750064
Molecular FormulaC157H165F10N7O7
Molecular Weight2452.07 g/mol
Exact Mass2450.26
IUPAC Name1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]butan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]pentan-1-one;1-[1-benzyl-6-[(dimethylamino)methyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one
SMILESCC(C)CCc1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(CN(C)C)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(CN3CCCC3)cc2n1Cc1ccccc1.CCCC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CCCCC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1
InChIInChI=1S/C32H34F2N2O.C32H33F2NO2.C32H35F2NO.C31H31F2NO2.C30H32F2N2O/c1-22(2)32-31(30(37)15-12-23-11-14-27(33)28(34)18-23)26-13-10-25(20-35-16-6-7-17-35)19-29(26)36(32)21-24-8-4-3-5-9-24;1-4-5-11-29(36)24-14-15-25-28(19-24)35(20-23-9-7-6-8-10-23)32(21(2)3)31(25)30(37)17-13-22-12-16-26(33)27(34)18-22;1-21(2)10-11-24-12-15-26-29(19-24)35(20-25-8-6-5-7-9-25)32(22(3)4)31(26)30(36)17-14-23-13-16-27(33)28(34)18-23;1-4-8-28(35)23-13-14-24-27(18-23)34(19-22-9-6-5-7-10-22)31(20(2)3)30(24)29(36)16-12-21-11-15-25(32)26(33)17-21;1-20(2)30-29(28(35)15-12-21-11-14-25(31)26(32)16-21)24-13-10-23(18-33(3)4)17-27(24)34(30)19-22-8-6-5-7-9-22/h3-5,8-11,13-14,18-19,22H,6-7,12,15-17,20-21H2,1-2H3;6-10,12,14-16,18-19,21H,4-5,11,13,17,20H2,1-3H3;5-9,12-13,15-16,18-19,21-22H,10-11,14,17,20H2,1-4H3;5-7,9-11,13-15,17-18,20H,4,8,12,16,19H2,1-3H3;5-11,13-14,16-17,20H,12,15,18-19H2,1-4H3
InChIKeyINJBLZFFJUNLKR-UHFFFAOYSA-N
XLogP39.14
TPSA150.62 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds49
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002452.07
LogP ≤ 539.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]butan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]pentan-1-one;1-[1-benzyl-6-[(dimethylamino)methyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one with MolForge

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Related Compounds

5,19-Dimethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene-2,16-dione
CID 376315
11-[8-(1,4-Dioxobenzo[a]carbazol-11-yl)octyl]benzo[a]carbazole-1,4-dione
CID 379251
11-[5-(1,4-Dioxobenzo[a]carbazol-11-yl)pentyl]benzo[a]carbazole-1,4-dione
CID 381745
11-[12-(1,4-Dioxobenzo[a]carbazol-11-yl)dodecyl]benzo[a]carbazole-1,4-dione
CID 381746
EIFD dy TPPO
CID 168338902
Bis[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]methanone
CID 102197207
1-[1-Benzyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one
CID 58104039
1-[1-benzyl-6-[(E)-N-ethoxy-C-methylcarbonimidoyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one
CID 58104040
1-[1-Benzyl-6-(3-methylbutyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one
CID 58104053
1-(1-Benzyl-6-butyl-2-propan-2-ylindol-3-yl)-3-(3,4-difluorophenyl)propan-1-one
CID 58104061
1-[1-Benzyl-2-propan-2-yl-6-(pyrrolidine-1-carbonyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one
CID 58104065
1-[1-Benzyl-6-[(dimethylamino)methyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one
CID 58104072

Frequently Asked Questions

What is the IUPAC name of 1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]butan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]pentan-1-one;1-[1-benzyl-6-[(dimethylamino)methyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one?
The IUPAC name of 1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]butan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]pentan-1-one;1-[1-benzyl-6-[(dimethylamino)methyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one (CID 158750064) is 1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]butan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]pentan-1-one;1-[1-benzyl-6-[(dimethylamino)methyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one.
What is the SMILES notation for 1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]butan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]pentan-1-one;1-[1-benzyl-6-[(dimethylamino)methyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one?
The canonical SMILES for 1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]butan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]pentan-1-one;1-[1-benzyl-6-[(dimethylamino)methyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one is CC(C)CCc1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(CN(C)C)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)CCc2ccc(F)c(F)c2)c2ccc(CN3CCCC3)cc2n1Cc1ccccc1.CCCC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.CCCCC(=O)c1ccc2c(C(=O)CCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccc3)c2c1.
What is the InChIKey of 1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]butan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]pentan-1-one;1-[1-benzyl-6-[(dimethylamino)methyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one?
The InChIKey is INJBLZFFJUNLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F2N2O.C32H33F2NO2.C32H35F2NO.C31H31F2NO2.C30H32F2N2O/c1-22(2)32-31(30(37)15-12-23-11-14-27(33)28(34)18-23)26-13-10-25(20-35-16-6-7-17-35)19-29(26)36(32)21-24-8-4-3-5-9-24;1-4-5-11-29(36)24-14-15-25-28(19-24)35(20-23-9-7-6-8-10-23)32(21(2)3)31(25)30(37)17-13-22-12-16-26(33)27(34)18-22;1-21(2)10-11-24-12-15-26-29(19-24)35(20-25-8-6-5-7-9-25)32(22(3)4)31(26)30(36)17-14-23-13-16-27(33)28(34)18-23;1-4-8-28(35)23-13-14-24-27(18-23)34(19-22-9-6-5-7-10-22)31(20(2)3)30(24)29(36)16-12-21-11-15-25(32)26(33)17-21;1-20(2)30-29(28(35)15-12-21-11-14-25(31)26(32)16-21)24-13-10-23(18-33(3)4)17-27(24)34(30)19-22-8-6-5-7-9-22/h3-5,8-11,13-14,18-19,22H,6-7,12,15-17,20-21H2,1-2H3;6-10,12,14-16,18-19,21H,4-5,11,13,17,20H2,1-3H3;5-9,12-13,15-16,18-19,21-22H,10-11,14,17,20H2,1-4H3;5-7,9-11,13-15,17-18,20H,4,8,12,16,19H2,1-3H3;5-11,13-14,16-17,20H,12,15,18-19H2,1-4H3.
What are the key properties of 1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]butan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]pentan-1-one;1-[1-benzyl-6-[(dimethylamino)methyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one?
1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]butan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]pentan-1-one;1-[1-benzyl-6-[(dimethylamino)methyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one has a molecular weight of 2452.07 g/mol, XLogP of 39.14, 49 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]butan-1-one;1-[1-benzyl-3-[3-(3,4-difluorophenyl)propanoyl]-2-propan-2-ylindol-6-yl]pentan-1-one;1-[1-benzyl-6-[(dimethylamino)methyl]-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-6-(3-methylbutyl)-2-propan-2-ylindol-3-yl]-3-(3,4-difluorophenyl)propan-1-one;1-[1-benzyl-2-propan-2-yl-6-(pyrrolidin-1-ylmethyl)indol-3-yl]-3-(3,4-difluorophenyl)propan-1-one is sourced from PubChem (CID 158750064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).