2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide

C16H17ClN2O — CID 106899083

IUPAC2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide
SMILESCCc1ccc(CNC(=O)c2ccc(Cl)cc2N)cc1
InChIInChI=1S/C16H17ClN2O/c1-2-11-3-5-12(6-4-11)10-19-16(20)14-8-7-13(17)9-15(14)18/h3-9H,2,10,18H2,1H3,(H,19,20)
InChIKeyQIEFJOSIRDXAAZ-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.41
Rot. Bonds4

About 2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide

2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide (PubChem CID 106899083) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide
PubChem CID106899083
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide
SMILESCCc1ccc(CNC(=O)c2ccc(Cl)cc2N)cc1
InChIInChI=1S/C16H17ClN2O/c1-2-11-3-5-12(6-4-11)10-19-16(20)14-8-7-13(17)9-15(14)18/h3-9H,2,10,18H2,1H3,(H,19,20)
InChIKeyQIEFJOSIRDXAAZ-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
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-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 62073957
2-amino-4-chloro-N-(4-ethylphenyl)benzamide
CID 28605488
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
2-amino-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 106899778
2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide
CID 79714993
2-amino-4-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63794440
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
2-amino-N-[(4-chlorophenyl)methyl]-4-nitrobenzamide
CID 67362358
2-amino-N-[(4-chlorophenyl)methyl]-5-fluorobenzamide
CID 43245704
2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 62073634
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678
2-amino-4-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988889

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide?
The IUPAC name of 2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide (CID 106899083) is 2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide?
The canonical SMILES for 2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide is CCc1ccc(CNC(=O)c2ccc(Cl)cc2N)cc1.
What is the InChIKey of 2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide?
The InChIKey is QIEFJOSIRDXAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-2-11-3-5-12(6-4-11)10-19-16(20)14-8-7-13(17)9-15(14)18/h3-9H,2,10,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide?
2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide has a molecular weight of 288.78 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide is sourced from PubChem (CID 106899083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).