N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide

C16H17ClN2O — CID 50880400

IUPACN-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide
SMILESCCc1cc(N)cc(C)c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-3-11-9-14(18)8-10(2)15(11)19-16(20)12-4-6-13(17)7-5-12/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyUSIYCDGSVUBIDI-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.05
Rot. Bonds3

About N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide

N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide (PubChem CID 50880400) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide
PubChem CID50880400
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide
SMILESCCc1cc(N)cc(C)c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-3-11-9-14(18)8-10(2)15(11)19-16(20)12-4-6-13(17)7-5-12/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyUSIYCDGSVUBIDI-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
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

N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide
CID 50880299
4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide
CID 50880717
N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide
CID 50880342
4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide
CID 1268889
N-(4-amino-2-ethyl-6-methylphenyl)-5-bromopyridine-3-carboxamide
CID 50880485
N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218767
N-(4-amino-2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 50879810
N-(4-amino-2,5-dimethylphenyl)-4-chlorobenzamide
CID 103144495
4-amino-N-(4-amino-2,6-dichlorophenyl)benzamide
CID 20565335
4-acetyl-N-[2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]benzamide
CID 86666624
4-ethyl-N-(2-ethyl-6-methyl-4-nitrophenyl)benzamide
CID 50880321
N-[4-(carbamothioylamino)-2-ethyl-6-methylphenyl]benzamide
CID 50881403

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide?
The IUPAC name of N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide (CID 50880400) is N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide.
What is the SMILES notation for N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide?
The canonical SMILES for N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide is CCc1cc(N)cc(C)c1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide?
The InChIKey is USIYCDGSVUBIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-3-11-9-14(18)8-10(2)15(11)19-16(20)12-4-6-13(17)7-5-12/h4-9H,3,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide?
N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide has a molecular weight of 288.78 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide is sourced from PubChem (CID 50880400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).