2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide

C15H20ClNO2 — CID 109399464

IUPAC2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCCC2(C)CO)c1Cl
InChIInChI=1S/C15H20ClNO2/c1-10-5-3-6-11(13(10)16)14(19)17-12-7-4-8-15(12,2)9-18/h3,5-6,12,18H,4,7-9H2,1-2H3,(H,17,19)
InChIKeyIJYZFBVEVUXFDJ-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.93
Rot. Bonds3

About 2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide

2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide (PubChem CID 109399464) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide
PubChem CID109399464
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCCC2(C)CO)c1Cl
InChIInChI=1S/C15H20ClNO2/c1-10-5-3-6-11(13(10)16)14(19)17-12-7-4-8-15(12,2)9-18/h3,5-6,12,18H,4,7-9H2,1-2H3,(H,17,19)
InChIKeyIJYZFBVEVUXFDJ-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide 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

1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473192
N-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-methylquinoline-4-carboxamide
CID 71849712
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472645
2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid
CID 120532932
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylcyclopropyl)urea
CID 111505299
4-ethylsulfanyl-N-[2-(hydroxymethyl)-2-methylcyclopentyl]benzamide
CID 110000175
N-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 97006375
1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472706
1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111474343
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111506190
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(2-phenylcyclopropyl)methyl]urea
CID 111506232
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide?
The IUPAC name of 2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide (CID 109399464) is 2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide is Cc1cccc(C(=O)NC2CCCC2(C)CO)c1Cl.
What is the InChIKey of 2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide?
The InChIKey is IJYZFBVEVUXFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-10-5-3-6-11(13(10)16)14(19)17-12-7-4-8-15(12,2)9-18/h3,5-6,12,18H,4,7-9H2,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide?
2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide has a molecular weight of 281.78 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide is sourced from PubChem (CID 109399464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).