3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide

C21H29ClN2O2 — CID 170578738

IUPAC3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide
SMILESCC(=O)NC1CCCC(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)C1
InChIInChI=1S/C21H29ClN2O2/c1-14(25)23-19-11-5-9-17(13-19)21(26)24-20(15-6-2-3-7-15)16-8-4-10-18(22)12-16/h4,8,10,12,15,17,19-20H,2-3,5-7,9,11,13H2,1H3,(H,23,25)(H,24,26)/t17?,19?,20-/m0/s1
InChIKeySNKNJQVXHYBKAU-UUKMXZOPSA-N
MW376.93 g/mol
LogP4.38
Rot. Bonds5

About 3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide

3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide (PubChem CID 170578738) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide
PubChem CID170578738
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC Name3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide
SMILESCC(=O)NC1CCCC(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)C1
InChIInChI=1S/C21H29ClN2O2/c1-14(25)23-19-11-5-9-17(13-19)21(26)24-20(15-6-2-3-7-15)16-8-4-10-18(22)12-16/h4,8,10,12,15,17,19-20H,2-3,5-7,9,11,13H2,1H3,(H,23,25)(H,24,26)/t17?,19?,20-/m0/s1
InChIKeySNKNJQVXHYBKAU-UUKMXZOPSA-N
XLogP4.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide 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

3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide
CID 170580293
N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide
CID 170580551
1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea
CID 170581158
N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide
CID 170579534
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-5-azaspiro[3.4]octane-2-carboxamide
CID 170580686
(5S)-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2,8-dioxo-1,3-diazocane-5-carboxamide
CID 170580436
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
N-[(R)-(3-chlorophenyl)-cyclopentylmethyl]-7-fluoro-6-oxo-5-azaspiro[3.4]octane-2-carboxamide
CID 170330258
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide
CID 120795524
(2S,4S)-N-[cyclopentyl(phenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624090
3-amino-N-[(3-chlorophenyl)-phenylmethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119736446

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide (CID 170578738) is 3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide is CC(=O)NC1CCCC(C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)C1.
What is the InChIKey of 3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide?
The InChIKey is SNKNJQVXHYBKAU-UUKMXZOPSA-N. The full InChI is InChI=1S/C21H29ClN2O2/c1-14(25)23-19-11-5-9-17(13-19)21(26)24-20(15-6-2-3-7-15)16-8-4-10-18(22)12-16/h4,8,10,12,15,17,19-20H,2-3,5-7,9,11,13H2,1H3,(H,23,25)(H,24,26)/t17?,19?,20-/m0/s1.
What are the key properties of 3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide?
3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide has a molecular weight of 376.93 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 170578738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).