2-amino-3-chloro-N-(cyclopentylmethyl)benzamide

C13H17ClN2O — CID 115540050

IUPAC2-amino-3-chloro-N-(cyclopentylmethyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)NCC1CCCC1
InChIInChI=1S/C13H17ClN2O/c14-11-7-3-6-10(12(11)15)13(17)16-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,15H2,(H,16,17)
InChIKeyWPCWMTMCPJXIDJ-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.84
Rot. Bonds3

About 2-amino-3-chloro-N-(cyclopentylmethyl)benzamide

2-amino-3-chloro-N-(cyclopentylmethyl)benzamide (PubChem CID 115540050) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(cyclopentylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(cyclopentylmethyl)benzamide
PubChem CID115540050
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-amino-3-chloro-N-(cyclopentylmethyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)NCC1CCCC1
InChIInChI=1S/C13H17ClN2O/c14-11-7-3-6-10(12(11)15)13(17)16-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,15H2,(H,16,17)
InChIKeyWPCWMTMCPJXIDJ-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-chloro-N-(cyclobutylmethyl)benzamide
CID 115540048
2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide
CID 115540134
2,3-dichloro-N-(cyclohexylmethyl)benzamide
CID 23019884
2-amino-3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137909
2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
cyclohexylmethyl 2-amino-3-chlorobenzoate
CID 113333488
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
3-chloro-N-(cyclobutylmethyl)-2-nitrobenzamide
CID 79831189
3-amino-N-(cyclopentylmethyl)-2-methoxybenzamide
CID 113386375
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(cyclopentylmethyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(cyclopentylmethyl)benzamide (CID 115540050) is 2-amino-3-chloro-N-(cyclopentylmethyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(cyclopentylmethyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(cyclopentylmethyl)benzamide is Nc1c(Cl)cccc1C(=O)NCC1CCCC1.
What is the InChIKey of 2-amino-3-chloro-N-(cyclopentylmethyl)benzamide?
The InChIKey is WPCWMTMCPJXIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-11-7-3-6-10(12(11)15)13(17)16-8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8,15H2,(H,16,17).
What are the key properties of 2-amino-3-chloro-N-(cyclopentylmethyl)benzamide?
2-amino-3-chloro-N-(cyclopentylmethyl)benzamide has a molecular weight of 252.74 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(cyclopentylmethyl)benzamide is sourced from PubChem (CID 115540050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).