2-amino-3-chloro-N-(1-phenylethyl)benzamide

C15H15ClN2O — CID 82546896

IUPAC2-amino-3-chloro-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1N)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-10(11-6-3-2-4-7-11)18-15(19)12-8-5-9-13(16)14(12)17/h2-10H,17H2,1H3,(H,18,19)
InChIKeyGTKWNOKCTJNLDF-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.41
Rot. Bonds3

About 2-amino-3-chloro-N-(1-phenylethyl)benzamide

2-amino-3-chloro-N-(1-phenylethyl)benzamide (PubChem CID 82546896) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(1-phenylethyl)benzamide
PubChem CID82546896
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-amino-3-chloro-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1N)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-10(11-6-3-2-4-7-11)18-15(19)12-8-5-9-13(16)14(12)17/h2-10H,17H2,1H3,(H,18,19)
InChIKeyGTKWNOKCTJNLDF-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.41
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-[1-(4-methylphenyl)ethyl]benzamide
CID 115540155
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide
CID 107868800
2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 115540519
2-amino-3-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 115540145
2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 30117627
2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 107861897
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
2-amino-3-chloro-N-(2-phenylpropyl)benzamide
CID 115540226
2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide
CID 115540229
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(1-phenylethyl)benzamide (CID 82546896) is 2-amino-3-chloro-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(1-phenylethyl)benzamide is CC(NC(=O)c1cccc(Cl)c1N)c1ccccc1.
What is the InChIKey of 2-amino-3-chloro-N-(1-phenylethyl)benzamide?
The InChIKey is GTKWNOKCTJNLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10(11-6-3-2-4-7-11)18-15(19)12-8-5-9-13(16)14(12)17/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-3-chloro-N-(1-phenylethyl)benzamide?
2-amino-3-chloro-N-(1-phenylethyl)benzamide has a molecular weight of 274.75 g/mol, XLogP of 3.41, 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-(1-phenylethyl)benzamide is sourced from PubChem (CID 82546896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).