4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one

C98H127Cl5F3N9O16 — CID 158519155

IUPAC4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one
SMILESCOCCn1cc(C(=O)CCCC2(O)CCCC2)c2c(Cl)cccc21.COCCn1cc(C(=O)NCC2(O)CCCCC2)c2c(Cl)cccc21.COCCn1cc(C(=O)NCC2(O)CCCCC2O)c2c(Cl)cccc21.COCCn1cc(C(=O)NCC2(OC)CCC(F)(F)CC2)c2c(Cl)cccc21.COCCn1cc(C(=O)NC[C@]2(O)CCCC(C)(F)C2)c2c(Cl)cccc21
InChIInChI=1S/C20H25ClF2N2O3.C20H26ClFN2O3.C20H26ClNO3.C19H25ClN2O4.C19H25ClN2O3/c1-27-11-10-25-12-14(17-15(21)4-3-5-16(17)25)18(26)24-13-19(28-2)6-8-20(22,23)9-7-19;1-19(22)7-4-8-20(26,12-19)13-23-18(25)14-11-24(9-10-27-2)16-6-3-5-15(21)17(14)16;1-25-13-12-22-14-15(19-16(21)6-4-7-17(19)22)18(23)8-5-11-20(24)9-2-3-10-20;1-26-10-9-22-11-13(17-14(20)5-4-6-15(17)22)18(24)21-12-19(25)8-3-2-7-16(19)23;1-25-11-10-22-12-14(17-15(20)6-5-7-16(17)22)18(23)21-13-19(24)8-3-2-4-9-19/h3-5,12H,6-11,13H2,1-2H3,(H,24,26);3,5-6,11,26H,4,7-10,12-13H2,1-2H3,(H,23,25);4,6-7,14,24H,2-3,5,8-13H2,1H3;4-6,11,16,23,25H,2-3,7-10,12H2,1H3,(H,21,24);5-7,12,24H,2-4,8-11,13H2,1H3,(H,21,23)/t;19?,20-;;;/m.0.../s1
InChIKeyHLZRKYPVPFKDJC-KYXLODFCSA-N
MW1921.40 g/mol
LogP18.27
Rot. Bonds33

About 4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one

4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one (PubChem CID 158519155) has the molecular formula C98H127Cl5F3N9O16 and a molecular weight of 1921.40 g/mol. Its IUPAC name is 4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one.

Molecular Properties

Compound Name4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one
PubChem CID158519155
Molecular FormulaC98H127Cl5F3N9O16
Molecular Weight1921.40 g/mol
Exact Mass1917.78
IUPAC Name4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one
SMILESCOCCn1cc(C(=O)CCCC2(O)CCCC2)c2c(Cl)cccc21.COCCn1cc(C(=O)NCC2(O)CCCCC2)c2c(Cl)cccc21.COCCn1cc(C(=O)NCC2(O)CCCCC2O)c2c(Cl)cccc21.COCCn1cc(C(=O)NCC2(OC)CCC(F)(F)CC2)c2c(Cl)cccc21.COCCn1cc(C(=O)NC[C@]2(O)CCCC(C)(F)C2)c2c(Cl)cccc21
InChIInChI=1S/C20H25ClF2N2O3.C20H26ClFN2O3.C20H26ClNO3.C19H25ClN2O4.C19H25ClN2O3/c1-27-11-10-25-12-14(17-15(21)4-3-5-16(17)25)18(26)24-13-19(28-2)6-8-20(22,23)9-7-19;1-19(22)7-4-8-20(26,12-19)13-23-18(25)14-11-24(9-10-27-2)16-6-3-5-15(21)17(14)16;1-25-13-12-22-14-15(19-16(21)6-4-7-17(19)22)18(23)8-5-11-20(24)9-2-3-10-20;1-26-10-9-22-11-13(17-14(20)5-4-6-15(17)22)18(24)21-12-19(25)8-3-2-7-16(19)23;1-25-11-10-22-12-14(17-15(20)6-5-7-16(17)22)18(23)21-13-19(24)8-3-2-4-9-19/h3-5,12H,6-11,13H2,1-2H3,(H,24,26);3,5-6,11,26H,4,7-10,12-13H2,1-2H3,(H,23,25);4,6-7,14,24H,2-3,5,8-13H2,1H3;4-6,11,16,23,25H,2-3,7-10,12H2,1H3,(H,21,24);5-7,12,24H,2-4,8-11,13H2,1H3,(H,21,23)/t;19?,20-;;;/m.0.../s1
InChIKeyHLZRKYPVPFKDJC-KYXLODFCSA-N
XLogP18.27
TPSA314.65 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds33
Heavy Atoms131
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001921.40
LogP ≤ 518.27
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze 4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one?
The IUPAC name of 4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one (CID 158519155) is 4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one.
What is the SMILES notation for 4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one?
The canonical SMILES for 4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one is COCCn1cc(C(=O)CCCC2(O)CCCC2)c2c(Cl)cccc21.COCCn1cc(C(=O)NCC2(O)CCCCC2)c2c(Cl)cccc21.COCCn1cc(C(=O)NCC2(O)CCCCC2O)c2c(Cl)cccc21.COCCn1cc(C(=O)NCC2(OC)CCC(F)(F)CC2)c2c(Cl)cccc21.COCCn1cc(C(=O)NC[C@]2(O)CCCC(C)(F)C2)c2c(Cl)cccc21.
What is the InChIKey of 4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one?
The InChIKey is HLZRKYPVPFKDJC-KYXLODFCSA-N. The full InChI is InChI=1S/C20H25ClF2N2O3.C20H26ClFN2O3.C20H26ClNO3.C19H25ClN2O4.C19H25ClN2O3/c1-27-11-10-25-12-14(17-15(21)4-3-5-16(17)25)18(26)24-13-19(28-2)6-8-20(22,23)9-7-19;1-19(22)7-4-8-20(26,12-19)13-23-18(25)14-11-24(9-10-27-2)16-6-3-5-15(21)17(14)16;1-25-13-12-22-14-15(19-16(21)6-4-7-17(19)22)18(23)8-5-11-20(24)9-2-3-10-20;1-26-10-9-22-11-13(17-14(20)5-4-6-15(17)22)18(24)21-12-19(25)8-3-2-7-16(19)23;1-25-11-10-22-12-14(17-15(20)6-5-7-16(17)22)18(23)21-13-19(24)8-3-2-4-9-19/h3-5,12H,6-11,13H2,1-2H3,(H,24,26);3,5-6,11,26H,4,7-10,12-13H2,1-2H3,(H,23,25);4,6-7,14,24H,2-3,5,8-13H2,1H3;4-6,11,16,23,25H,2-3,7-10,12H2,1H3,(H,21,24);5-7,12,24H,2-4,8-11,13H2,1H3,(H,21,23)/t;19?,20-;;;/m.0.../s1.
What are the key properties of 4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one?
4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one has a molecular weight of 1921.40 g/mol, XLogP of 18.27, 33 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4,4-difluoro-1-methoxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1,2-dihydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[[(1S)-3-fluoro-1-hydroxy-3-methylcyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide;4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide;1-[4-chloro-1-(2-methoxyethyl)indol-3-yl]-4-(1-hydroxycyclopentyl)butan-1-one is sourced from PubChem (CID 158519155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).