N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide

C16H17ClN2O — CID 91687295

IUPACN-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cc(Cl)c(C)cc2N)cc1
InChIInChI=1S/C16H17ClN2O/c1-3-11-4-6-12(7-5-11)16(20)19-15-9-13(17)10(2)8-14(15)18/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyMJHIULMVYBESAP-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.05
Rot. Bonds3

About N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide

N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide (PubChem CID 91687295) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide
PubChem CID91687295
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cc(Cl)c(C)cc2N)cc1
InChIInChI=1S/C16H17ClN2O/c1-3-11-4-6-12(7-5-11)16(20)19-15-9-13(17)10(2)8-14(15)18/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyMJHIULMVYBESAP-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-2,5-dichlorophenyl)-4-ethylbenzamide
CID 50881110
N-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide
CID 91687297
4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide
CID 104723637
4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725697
N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide
CID 17102186
N-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide
CID 91687685
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399
N-(3-amino-2-methylphenyl)-4-ethylbenzamide
CID 18072928
N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
CID 62103960
N-(6-chloro-4-methyl-3-pyridinyl)-4-ethylbenzamide
CID 113262953
N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide
CID 107808338
N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide
CID 50880299

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide?
The IUPAC name of N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide (CID 91687295) is N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide.
What is the SMILES notation for N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide?
The canonical SMILES for N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2cc(Cl)c(C)cc2N)cc1.
What is the InChIKey of N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide?
The InChIKey is MJHIULMVYBESAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-3-11-4-6-12(7-5-11)16(20)19-15-9-13(17)10(2)8-14(15)18/h4-9H,3,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide?
N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide 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-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide is sourced from PubChem (CID 91687295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).