[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] acetate;[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] N,N-dimethylcarbamate;N-cyclohexyl-2-(3-fluoro-N-[2-(4-hydroxyphenyl)acetyl]anilino)-2-(2-methylphenyl)acetamide;2-(4-hydroxyphenyl)acetic acid

C100H108F3N7O14 — CID 161315225

IUPAC[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] acetate;[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] N,N-dimethylcarbamate;N-cyclohexyl-2-(3-fluoro-N-[2-(4-hydroxyphenyl)acetyl]anilino)-2-(2-methylphenyl)acetamide;2-(4-hydroxyphenyl)acetic acid
SMILESCC(=O)Oc1ccc(CC(=O)N(c2cccc(F)c2)C(C(=O)NC2CCCCC2)c2ccccc2C)cc1.Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1ccc(O)cc1)c1cccc(F)c1.Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1ccc(OC(=O)N(C)C)cc1)c1cccc(F)c1.O=C(O)Cc1ccc(O)cc1
InChIInChI=1S/C32H36FN3O4.C31H33FN2O4.C29H31FN2O3.C8H8O3/c1-22-10-7-8-15-28(22)30(31(38)34-25-12-5-4-6-13-25)36(26-14-9-11-24(33)21-26)29(37)20-23-16-18-27(19-17-23)40-32(39)35(2)3;1-21-9-6-7-14-28(21)30(31(37)33-25-11-4-3-5-12-25)34(26-13-8-10-24(32)20-26)29(36)19-23-15-17-27(18-16-23)38-22(2)35;1-20-8-5-6-13-26(20)28(29(35)31-23-10-3-2-4-11-23)32(24-12-7-9-22(30)19-24)27(34)18-21-14-16-25(33)17-15-21;9-7-3-1-6(2-4-7)5-8(10)11/h7-11,14-19,21,25,30H,4-6,12-13,20H2,1-3H3,(H,34,38);6-10,13-18,20,25,30H,3-5,11-12,19H2,1-2H3,(H,33,37);5-9,12-17,19,23,28,33H,2-4,10-11,18H2,1H3,(H,31,35);1-4,9H,5H2,(H,10,11)
InChIKeyVJKGGCYINLYGJJ-UHFFFAOYSA-N
MW1688.99 g/mol
LogP18.41
Rot. Bonds25

About [4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] acetate;[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] N,N-dimethylcarbamate;N-cyclohexyl-2-(3-fluoro-N-[2-(4-hydroxyphenyl)acetyl]anilino)-2-(2-methylphenyl)acetamide;2-(4-hydroxyphenyl)acetic acid

[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] acetate;[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] N,N-dimethylcarbamate;N-cyclohexyl-2-(3-fluoro-N-[2-(4-hydroxyphenyl)acetyl]anilino)-2-(2-methylphenyl)acetamide;2-(4-hydroxyphenyl)acetic acid (PubChem CID 161315225) has the molecular formula C100H108F3N7O14 and a molecular weight of 1688.99 g/mol. Its IUPAC name is [4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] acetate;[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] N,N-dimethylcarbamate;N-cyclohexyl-2-(3-fluoro-N-[2-(4-hydroxyphenyl)acetyl]anilino)-2-(2-methylphenyl)acetamide;2-(4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] acetate;[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] N,N-dimethylcarbamate;N-cyclohexyl-2-(3-fluoro-N-[2-(4-hydroxyphenyl)acetyl]anilino)-2-(2-methylphenyl)acetamide;2-(4-hydroxyphenyl)acetic acid
PubChem CID161315225
Molecular FormulaC100H108F3N7O14
Molecular Weight1688.99 g/mol
Exact Mass1687.79
IUPAC Name[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] acetate;[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] N,N-dimethylcarbamate;N-cyclohexyl-2-(3-fluoro-N-[2-(4-hydroxyphenyl)acetyl]anilino)-2-(2-methylphenyl)acetamide;2-(4-hydroxyphenyl)acetic acid
SMILESCC(=O)Oc1ccc(CC(=O)N(c2cccc(F)c2)C(C(=O)NC2CCCCC2)c2ccccc2C)cc1.Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1ccc(O)cc1)c1cccc(F)c1.Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1ccc(OC(=O)N(C)C)cc1)c1cccc(F)c1.O=C(O)Cc1ccc(O)cc1
InChIInChI=1S/C32H36FN3O4.C31H33FN2O4.C29H31FN2O3.C8H8O3/c1-22-10-7-8-15-28(22)30(31(38)34-25-12-5-4-6-13-25)36(26-14-9-11-24(33)21-26)29(37)20-23-16-18-27(19-17-23)40-32(39)35(2)3;1-21-9-6-7-14-28(21)30(31(37)33-25-11-4-3-5-12-25)34(26-13-8-10-24(32)20-26)29(36)19-23-15-17-27(18-16-23)38-22(2)35;1-20-8-5-6-13-26(20)28(29(35)31-23-10-3-2-4-11-23)32(24-12-7-9-22(30)19-24)27(34)18-21-14-16-25(33)17-15-21;9-7-3-1-6(2-4-7)5-8(10)11/h7-11,14-19,21,25,30H,4-6,12-13,20H2,1-3H3,(H,34,38);6-10,13-18,20,25,30H,3-5,11-12,19H2,1-2H3,(H,33,37);5-9,12-17,19,23,28,33H,2-4,10-11,18H2,1H3,(H,31,35);1-4,9H,5H2,(H,10,11)
InChIKeyVJKGGCYINLYGJJ-UHFFFAOYSA-N
XLogP18.41
TPSA281.83 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001688.99
LogP ≤ 518.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] acetate;[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] N,N-dimethylcarbamate;N-cyclohexyl-2-(3-fluoro-N-[2-(4-hydroxyphenyl)acetyl]anilino)-2-(2-methylphenyl)acetamide;2-(4-hydroxyphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-(3-fluoro-N-(2-pyrrolidin-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 71457355
2-(N-[2-(3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 56646353
2-(N-[2-(4-cyanoanilino)acetyl]-3-fluoroanilino)-N-cycloheptyl-2-(2-methylphenyl)acetamide
CID 147804491
3-(aziridin-1-ylsulfonylamino)-N-[(1R)-2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 130470358
tert-butyl N-[(2S)-1-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-1-oxopropan-2-yl]carbamate
CID 163746579
2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)-N-piperidin-4-ylacetamide
CID 71461016
2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 56645149
2-(3-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]anilino)-2-(2-methylphenyl)-N-(oxan-4-yl)acetamide
CID 122537156
tert-butyl N-[2-(N-[2-[(4,4-difluorocyclohexyl)amino]-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]carbamate
CID 123860596
[(2S)-1-(N-[1-(2-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-3-fluoroanilino)-1-oxopropan-2-yl]carbamic acid
CID 137496903
N-cyclohexyl-2-[[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-2-(2-methylphenyl)acetamide
CID 163795286
5-(N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-5-oxopentanoic acid
CID 21156879

Frequently Asked Questions

What is the IUPAC name of [4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] acetate;[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] N,N-dimethylcarbamate;N-cyclohexyl-2-(3-fluoro-N-[2-(4-hydroxyphenyl)acetyl]anilino)-2-(2-methylphenyl)acetamide;2-(4-hydroxyphenyl)acetic acid?
The IUPAC name of [4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] acetate;[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] N,N-dimethylcarbamate;N-cyclohexyl-2-(3-fluoro-N-[2-(4-hydroxyphenyl)acetyl]anilino)-2-(2-methylphenyl)acetamide;2-(4-hydroxyphenyl)acetic acid (CID 161315225) is [4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] acetate;[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] N,N-dimethylcarbamate;N-cyclohexyl-2-(3-fluoro-N-[2-(4-hydroxyphenyl)acetyl]anilino)-2-(2-methylphenyl)acetamide;2-(4-hydroxyphenyl)acetic acid.
What is the SMILES notation for [4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] acetate;[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] N,N-dimethylcarbamate;N-cyclohexyl-2-(3-fluoro-N-[2-(4-hydroxyphenyl)acetyl]anilino)-2-(2-methylphenyl)acetamide;2-(4-hydroxyphenyl)acetic acid?
The canonical SMILES for [4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] acetate;[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] N,N-dimethylcarbamate;N-cyclohexyl-2-(3-fluoro-N-[2-(4-hydroxyphenyl)acetyl]anilino)-2-(2-methylphenyl)acetamide;2-(4-hydroxyphenyl)acetic acid is CC(=O)Oc1ccc(CC(=O)N(c2cccc(F)c2)C(C(=O)NC2CCCCC2)c2ccccc2C)cc1.Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1ccc(O)cc1)c1cccc(F)c1.Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1ccc(OC(=O)N(C)C)cc1)c1cccc(F)c1.O=C(O)Cc1ccc(O)cc1.
What is the InChIKey of [4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] acetate;[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] N,N-dimethylcarbamate;N-cyclohexyl-2-(3-fluoro-N-[2-(4-hydroxyphenyl)acetyl]anilino)-2-(2-methylphenyl)acetamide;2-(4-hydroxyphenyl)acetic acid?
The InChIKey is VJKGGCYINLYGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN3O4.C31H33FN2O4.C29H31FN2O3.C8H8O3/c1-22-10-7-8-15-28(22)30(31(38)34-25-12-5-4-6-13-25)36(26-14-9-11-24(33)21-26)29(37)20-23-16-18-27(19-17-23)40-32(39)35(2)3;1-21-9-6-7-14-28(21)30(31(37)33-25-11-4-3-5-12-25)34(26-13-8-10-24(32)20-26)29(36)19-23-15-17-27(18-16-23)38-22(2)35;1-20-8-5-6-13-26(20)28(29(35)31-23-10-3-2-4-11-23)32(24-12-7-9-22(30)19-24)27(34)18-21-14-16-25(33)17-15-21;9-7-3-1-6(2-4-7)5-8(10)11/h7-11,14-19,21,25,30H,4-6,12-13,20H2,1-3H3,(H,34,38);6-10,13-18,20,25,30H,3-5,11-12,19H2,1-2H3,(H,33,37);5-9,12-17,19,23,28,33H,2-4,10-11,18H2,1H3,(H,31,35);1-4,9H,5H2,(H,10,11).
What are the key properties of [4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] acetate;[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] N,N-dimethylcarbamate;N-cyclohexyl-2-(3-fluoro-N-[2-(4-hydroxyphenyl)acetyl]anilino)-2-(2-methylphenyl)acetamide;2-(4-hydroxyphenyl)acetic acid?
[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] acetate;[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] N,N-dimethylcarbamate;N-cyclohexyl-2-(3-fluoro-N-[2-(4-hydroxyphenyl)acetyl]anilino)-2-(2-methylphenyl)acetamide;2-(4-hydroxyphenyl)acetic acid has a molecular weight of 1688.99 g/mol, XLogP of 18.41, 25 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] acetate;[4-[2-(N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]phenyl] N,N-dimethylcarbamate;N-cyclohexyl-2-(3-fluoro-N-[2-(4-hydroxyphenyl)acetyl]anilino)-2-(2-methylphenyl)acetamide;2-(4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 161315225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).