N-(3-acetamidophenyl)-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide

C29H36ClN3O3 — CID 126962407

IUPACN-(3-acetamidophenyl)-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide
SMILESCC(=O)Nc1cccc(N(C(=O)c2ccc(Cl)cc2)[C@H](C(=O)NC2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C29H36ClN3O3/c1-20(34)31-25-13-8-14-26(19-25)33(29(36)22-15-17-23(30)18-16-22)27(21-9-4-2-5-10-21)28(35)32-24-11-6-3-7-12-24/h8,13-19,21,24,27H,2-7,9-12H2,1H3,(H,31,34)(H,32,35)/t27-/m0/s1
InChIKeyGTILSQWOUVGGRG-MHZLTWQESA-N
MW510.08 g/mol
LogP6.34
Rot. Bonds7

About N-(3-acetamidophenyl)-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide

N-(3-acetamidophenyl)-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide (PubChem CID 126962407) has the molecular formula C29H36ClN3O3 and a molecular weight of 510.08 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide
PubChem CID126962407
Molecular FormulaC29H36ClN3O3
Molecular Weight510.08 g/mol
Exact Mass509.24
IUPAC NameN-(3-acetamidophenyl)-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide
SMILESCC(=O)Nc1cccc(N(C(=O)c2ccc(Cl)cc2)[C@H](C(=O)NC2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C29H36ClN3O3/c1-20(34)31-25-13-8-14-26(19-25)33(29(36)22-15-17-23(30)18-16-22)27(21-9-4-2-5-10-21)28(35)32-24-11-6-3-7-12-24/h8,13-19,21,24,27H,2-7,9-12H2,1H3,(H,31,34)(H,32,35)/t27-/m0/s1
InChIKeyGTILSQWOUVGGRG-MHZLTWQESA-N
XLogP6.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.08
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-acetamidophenyl)-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide 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

2-(3-chloro-N-(2-oxo-2-phenylacetyl)anilino)-3-(4-chlorophenyl)-N-cyclohexyl-3-oxopropanamide
CID 11284070
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109056113
(2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide
CID 40680935
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 2638280
(2S)-2-acetamido-2-cyclopentyl-N-[3-[ethyl(methyl)amino]phenyl]acetamide
CID 97099193
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide
CID 60572957
2-(3-acetamidoanilino)-N-cyclopentylpropanamide
CID 43083456
3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 139348505
(3R)-N-(3-acetamidophenyl)-N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1174182
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-(3-acetamidophenyl)-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide (CID 126962407) is N-(3-acetamidophenyl)-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide is CC(=O)Nc1cccc(N(C(=O)c2ccc(Cl)cc2)[C@H](C(=O)NC2CCCCC2)C2CCCCC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide?
The InChIKey is GTILSQWOUVGGRG-MHZLTWQESA-N. The full InChI is InChI=1S/C29H36ClN3O3/c1-20(34)31-25-13-8-14-26(19-25)33(29(36)22-15-17-23(30)18-16-22)27(21-9-4-2-5-10-21)28(35)32-24-11-6-3-7-12-24/h8,13-19,21,24,27H,2-7,9-12H2,1H3,(H,31,34)(H,32,35)/t27-/m0/s1.
What are the key properties of N-(3-acetamidophenyl)-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide?
N-(3-acetamidophenyl)-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide has a molecular weight of 510.08 g/mol, XLogP of 6.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 126962407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).