4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide

C14H18ClNO2 — CID 113356724

IUPAC4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)NC1(CO)CCCC1
InChIInChI=1S/C14H18ClNO2/c1-10-8-11(15)4-5-12(10)13(18)16-14(9-17)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,16,18)
InChIKeyQALYGYIHILACPK-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.68
Rot. Bonds3

About 4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide

4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide (PubChem CID 113356724) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
PubChem CID113356724
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)NC1(CO)CCCC1
InChIInChI=1S/C14H18ClNO2/c1-10-8-11(15)4-5-12(10)13(18)16-14(9-17)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,16,18)
InChIKeyQALYGYIHILACPK-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide
CID 82891196
N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82890509
N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82883175
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 62519508
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 82883323
4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878206
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878155
2-chloro-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62520565
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672384
4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62526326
N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide
CID 114311355

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide?
The IUPAC name of 4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide (CID 113356724) is 4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide?
The canonical SMILES for 4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide is Cc1cc(Cl)ccc1C(=O)NC1(CO)CCCC1.
What is the InChIKey of 4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide?
The InChIKey is QALYGYIHILACPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-8-11(15)4-5-12(10)13(18)16-14(9-17)6-2-3-7-14/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,16,18).
What are the key properties of 4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide?
4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide has a molecular weight of 267.76 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide is sourced from PubChem (CID 113356724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).