2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide

C16H17ClN2O — CID 115540155

IUPAC2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cccc(Cl)c2N)cc1
InChIInChI=1S/C16H17ClN2O/c1-10-6-8-12(9-7-10)11(2)19-16(20)13-4-3-5-14(17)15(13)18/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyGKWZDSURHNCEBG-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.72
Rot. Bonds3

About 2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide

2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide (PubChem CID 115540155) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide
PubChem CID115540155
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cccc(Cl)c2N)cc1
InChIInChI=1S/C16H17ClN2O/c1-10-6-8-12(9-7-10)11(2)19-16(20)13-4-3-5-14(17)15(13)18/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyGKWZDSURHNCEBG-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.72
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-phenylethyl)benzamide
CID 82546896
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide
CID 107868800
2-amino-3-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 115540145
2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 115540519
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 30117627
2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 115540569
2-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355744
2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 60737127
2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43915384

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide (CID 115540155) is 2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2cccc(Cl)c2N)cc1.
What is the InChIKey of 2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is GKWZDSURHNCEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-10-6-8-12(9-7-10)11(2)19-16(20)13-4-3-5-14(17)15(13)18/h3-9,11H,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide?
2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide has a molecular weight of 288.78 g/mol, XLogP of 3.72, 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-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 115540155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).