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

C12H15ClN2O — CID 115540048

IUPAC2-amino-3-chloro-N-(cyclobutylmethyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)NCC1CCC1
InChIInChI=1S/C12H15ClN2O/c13-10-6-2-5-9(11(10)14)12(16)15-7-8-3-1-4-8/h2,5-6,8H,1,3-4,7,14H2,(H,15,16)
InChIKeyPQKFWPFGBRRVOV-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.45
Rot. Bonds3

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

2-amino-3-chloro-N-(cyclobutylmethyl)benzamide (PubChem CID 115540048) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(cyclobutylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(cyclobutylmethyl)benzamide
PubChem CID115540048
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-amino-3-chloro-N-(cyclobutylmethyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)NCC1CCC1
InChIInChI=1S/C12H15ClN2O/c13-10-6-2-5-9(11(10)14)12(16)15-7-8-3-1-4-8/h2,5-6,8H,1,3-4,7,14H2,(H,15,16)
InChIKeyPQKFWPFGBRRVOV-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.45
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-(cyclopentylmethyl)benzamide
CID 115540050
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
3-chloro-N-(cyclobutylmethyl)-2-nitrobenzamide
CID 79831189
3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 103988581
2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
cyclohexylmethyl 2-amino-3-chlorobenzoate
CID 113333488
2-amino-3-chloro-N-(2,6-dimethylpiperidin-1-yl)benzamide
CID 83013273
2-chloro-N-(cyclooctylmethyl)-3-fluorobenzamide
CID 173284973
2-chloro-N-(cyclobutylmethyl)-3-nitrobenzamide
CID 112576276

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(cyclobutylmethyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(cyclobutylmethyl)benzamide (CID 115540048) is 2-amino-3-chloro-N-(cyclobutylmethyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(cyclobutylmethyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(cyclobutylmethyl)benzamide is Nc1c(Cl)cccc1C(=O)NCC1CCC1.
What is the InChIKey of 2-amino-3-chloro-N-(cyclobutylmethyl)benzamide?
The InChIKey is PQKFWPFGBRRVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-10-6-2-5-9(11(10)14)12(16)15-7-8-3-1-4-8/h2,5-6,8H,1,3-4,7,14H2,(H,15,16).
What are the key properties of 2-amino-3-chloro-N-(cyclobutylmethyl)benzamide?
2-amino-3-chloro-N-(cyclobutylmethyl)benzamide has a molecular weight of 238.72 g/mol, XLogP of 2.45, 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-(cyclobutylmethyl)benzamide is sourced from PubChem (CID 115540048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).