4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide

C16H21ClN2O2 — CID 87026899

IUPAC4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)C1CCCC1
InChIInChI=1S/C16H21ClN2O2/c1-2-9-18-16(21)13-8-7-12(17)10-14(13)19-15(20)11-5-3-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyNWFFKVLRCMYILB-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.61
Rot. Bonds5

About 4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide

4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide (PubChem CID 87026899) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide
PubChem CID87026899
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)C1CCCC1
InChIInChI=1S/C16H21ClN2O2/c1-2-9-18-16(21)13-8-7-12(17)10-14(13)19-15(20)11-5-3-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyNWFFKVLRCMYILB-UHFFFAOYSA-N
XLogP3.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide 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-[5-chloro-2-(propylcarbamoyl)phenyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 87026910
4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide
CID 119712108
4-N-(2,4-dichlorophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144433
4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144375
4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144380
(2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621169
4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 55917777
4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide
CID 51121398
2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride
CID 119283149
N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63006645
N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
CID 64916810
4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride
CID 119712093

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide?
The IUPAC name of 4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide (CID 87026899) is 4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide.
What is the SMILES notation for 4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide?
The canonical SMILES for 4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide is CCCNC(=O)c1ccc(Cl)cc1NC(=O)C1CCCC1.
What is the InChIKey of 4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide?
The InChIKey is NWFFKVLRCMYILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-2-9-18-16(21)13-8-7-12(17)10-14(13)19-15(20)11-5-3-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide?
4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide has a molecular weight of 308.81 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide is sourced from PubChem (CID 87026899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).