2-chloro-N-cyclopentyloxy-4-methylbenzamide

C13H16ClNO2 — CID 103581971

IUPAC2-chloro-N-cyclopentyloxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NOC2CCCC2)c(Cl)c1
InChIInChI=1S/C13H16ClNO2/c1-9-6-7-11(12(14)8-9)13(16)15-17-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,16)
InChIKeyVHXXYUCXNQIBJC-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.25
Rot. Bonds3

About 2-chloro-N-cyclopentyloxy-4-methylbenzamide

2-chloro-N-cyclopentyloxy-4-methylbenzamide (PubChem CID 103581971) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyloxy-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyloxy-4-methylbenzamide
PubChem CID103581971
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-chloro-N-cyclopentyloxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NOC2CCCC2)c(Cl)c1
InChIInChI=1S/C13H16ClNO2/c1-9-6-7-11(12(14)8-9)13(16)15-17-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,16)
InChIKeyVHXXYUCXNQIBJC-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-cyclopentyloxy-4,5-difluorobenzamide
CID 83203003
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide
CID 106862132
5-chloro-N-cyclopentyloxy-2-fluorobenzamide
CID 83202518
3,5-dichloro-N-cyclopentyloxy-2-iodobenzamide
CID 83235310
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide
CID 106862320
2,6-dichloro-N-cyclopentyloxybenzamide
CID 83216790
2-chloro-N,4-dimethylbenzamide;ethane
CID 143942674
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 106124243
methyl 4-[(2-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylate
CID 103581955
2-[(2-chloro-4-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 106860690
3-chloro-N-cyclopentyloxythiophene-2-carboxamide
CID 83235964
N-cyclopentyloxy-3-hydroxy-4-methylbenzamide
CID 83235676

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyloxy-4-methylbenzamide?
The IUPAC name of 2-chloro-N-cyclopentyloxy-4-methylbenzamide (CID 103581971) is 2-chloro-N-cyclopentyloxy-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-cyclopentyloxy-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-cyclopentyloxy-4-methylbenzamide is Cc1ccc(C(=O)NOC2CCCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-cyclopentyloxy-4-methylbenzamide?
The InChIKey is VHXXYUCXNQIBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-9-6-7-11(12(14)8-9)13(16)15-17-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-cyclopentyloxy-4-methylbenzamide?
2-chloro-N-cyclopentyloxy-4-methylbenzamide has a molecular weight of 253.73 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyloxy-4-methylbenzamide is sourced from PubChem (CID 103581971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).