3-chloro-N-cyclopentyl-5-methylbenzamide

C13H16ClNO — CID 80948177

IUPAC3-chloro-N-cyclopentyl-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C13H16ClNO/c1-9-6-10(8-11(14)7-9)13(16)15-12-4-2-3-5-12/h6-8,12H,2-5H2,1H3,(H,15,16)
InChIKeyZWTDURQSMJABFJ-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.32
Rot. Bonds2

About 3-chloro-N-cyclopentyl-5-methylbenzamide

3-chloro-N-cyclopentyl-5-methylbenzamide (PubChem CID 80948177) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-5-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-5-methylbenzamide
PubChem CID80948177
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name3-chloro-N-cyclopentyl-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C13H16ClNO/c1-9-6-10(8-11(14)7-9)13(16)15-12-4-2-3-5-12/h6-8,12H,2-5H2,1H3,(H,15,16)
InChIKeyZWTDURQSMJABFJ-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 81323289
3-chloro-N-[2-(cycloheptylamino)ethyl]-5-methylbenzamide
CID 115306479
N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide
CID 81323198
3-amino-N-cyclohexyl-5-methylbenzamide
CID 113396098
3,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 43652880
3-chloro-N-cyclobutyl-5-iodobenzamide
CID 139600426
3-chloro-5-methyl-N-[(6S)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]benzamide
CID 154844275
3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide
CID 81002663
N-cyclooctyl-3-methylbenzamide
CID 966011
1-(3-chloro-5-methylphenyl)-3-cyclohexylurea
CID 143846785
3-chloro-N-[cyano(cyclohexyl)methyl]-5-methylbenzamide
CID 81001939

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopentyl-5-methylbenzamide?
The IUPAC name of 3-chloro-N-cyclopentyl-5-methylbenzamide (CID 80948177) is 3-chloro-N-cyclopentyl-5-methylbenzamide.
What is the SMILES notation for 3-chloro-N-cyclopentyl-5-methylbenzamide?
The canonical SMILES for 3-chloro-N-cyclopentyl-5-methylbenzamide is Cc1cc(Cl)cc(C(=O)NC2CCCC2)c1.
What is the InChIKey of 3-chloro-N-cyclopentyl-5-methylbenzamide?
The InChIKey is ZWTDURQSMJABFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-9-6-10(8-11(14)7-9)13(16)15-12-4-2-3-5-12/h6-8,12H,2-5H2,1H3,(H,15,16).
What are the key properties of 3-chloro-N-cyclopentyl-5-methylbenzamide?
3-chloro-N-cyclopentyl-5-methylbenzamide has a molecular weight of 237.73 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-5-methylbenzamide is sourced from PubChem (CID 80948177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).