2-amino-4-chloro-N-(4-ethylphenyl)benzamide

C15H15ClN2O — CID 28605488

IUPAC2-amino-4-chloro-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(Cl)cc2N)cc1
InChIInChI=1S/C15H15ClN2O/c1-2-10-3-6-12(7-4-10)18-15(19)13-8-5-11(16)9-14(13)17/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyKESHWBKJRPLSFG-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.74
Rot. Bonds3

About 2-amino-4-chloro-N-(4-ethylphenyl)benzamide

2-amino-4-chloro-N-(4-ethylphenyl)benzamide (PubChem CID 28605488) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(4-ethylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(4-ethylphenyl)benzamide
PubChem CID28605488
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-amino-4-chloro-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(Cl)cc2N)cc1
InChIInChI=1S/C15H15ClN2O/c1-2-10-3-6-12(7-4-10)18-15(19)13-8-5-11(16)9-14(13)17/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyKESHWBKJRPLSFG-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
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-ethylphenyl)-4-fluorobenzamide
CID 63109707
2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide
CID 106899083
2-amino-N-(4-butylphenyl)-5-chlorobenzamide
CID 43378411
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
4-[(2-amino-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 62057564
[2-(4-ethylanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7472473
2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 16783519
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437
2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571179
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
[2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7863033
2-amino-N-[3-(carbamoylamino)phenyl]-4-chlorobenzamide
CID 62058536

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(4-ethylphenyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(4-ethylphenyl)benzamide (CID 28605488) is 2-amino-4-chloro-N-(4-ethylphenyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(4-ethylphenyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(4-ethylphenyl)benzamide is CCc1ccc(NC(=O)c2ccc(Cl)cc2N)cc1.
What is the InChIKey of 2-amino-4-chloro-N-(4-ethylphenyl)benzamide?
The InChIKey is KESHWBKJRPLSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-2-10-3-6-12(7-4-10)18-15(19)13-8-5-11(16)9-14(13)17/h3-9H,2,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-4-chloro-N-(4-ethylphenyl)benzamide?
2-amino-4-chloro-N-(4-ethylphenyl)benzamide has a molecular weight of 274.75 g/mol, XLogP of 3.74, 3 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)benzamide is sourced from PubChem (CID 28605488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).