N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide

C16H17ClN2O — CID 106860388

IUPACN-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide
SMILESCCc1ccc(NC(=O)c2ccc(C)cc2Cl)cc1N
InChIInChI=1S/C16H17ClN2O/c1-3-11-5-6-12(9-15(11)18)19-16(20)13-7-4-10(2)8-14(13)17/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyKJYMDNZMDABDLD-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.05
Rot. Bonds3

About N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide

N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide (PubChem CID 106860388) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide
PubChem CID106860388
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide
SMILESCCc1ccc(NC(=O)c2ccc(C)cc2Cl)cc1N
InChIInChI=1S/C16H17ClN2O/c1-3-11-5-6-12(9-15(11)18)19-16(20)13-7-4-10(2)8-14(13)17/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyKJYMDNZMDABDLD-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

2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide
CID 106861638
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzamide
CID 62057344
N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81110900
1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea
CID 43551526
2-chloro-N-(4-cyanophenyl)-4-methylbenzamide
CID 885545
N-(5-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzamide
CID 106860442
N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide
CID 81290420
N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide
CID 82874897
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide
CID 106860403
1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea
CID 43551516

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide (CID 106860388) is N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide is CCc1ccc(NC(=O)c2ccc(C)cc2Cl)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide?
The InChIKey is KJYMDNZMDABDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-3-11-5-6-12(9-15(11)18)19-16(20)13-7-4-10(2)8-14(13)17/h4-9H,3,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide?
N-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide 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-(3-amino-4-ethylphenyl)-2-chloro-4-methylbenzamide is sourced from PubChem (CID 106860388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).