N-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide

C16H17ClN2O2 — CID 104756975

IUPACN-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1cc(N)c(C)cc1C
InChIInChI=1S/C16H17ClN2O2/c1-9-6-10(2)14(8-13(9)18)19-16(20)12-5-4-11(17)7-15(12)21-3/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyGVSQMOPQGZMZCM-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.80
Rot. Bonds3

About N-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide

N-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide (PubChem CID 104756975) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide
PubChem CID104756975
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1cc(N)c(C)cc1C
InChIInChI=1S/C16H17ClN2O2/c1-9-6-10(2)14(8-13(9)18)19-16(20)12-5-4-11(17)7-15(12)21-3/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyGVSQMOPQGZMZCM-UHFFFAOYSA-N
XLogP3.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide
CID 78987495
N-(4-amino-2,5-dimethylphenyl)-2-methoxybenzamide
CID 103144625
4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide
CID 62059730
N-(5-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzamide
CID 106860442
N-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 104756886
N-(2-amino-6-chlorophenyl)-4-chloro-2-methoxybenzamide
CID 62085162
N-[2-(aminomethyl)phenyl]-4-chloro-2-methoxybenzamide
CID 64882519
N-(2-acetamido-5-bromophenyl)-4-chloro-2-methoxybenzamide
CID 52851584
2-amino-4-chloro-N-(3-methoxy-2,4-dimethylphenyl)benzamide
CID 63110657
N-(2-amino-5-chloro-4-methylphenyl)-5-chloro-2-methoxybenzamide
CID 91687657
4-chloro-N-(4-iodophenyl)-2-methoxybenzamide
CID 47421842
N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
CID 115368533

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide?
The IUPAC name of N-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide (CID 104756975) is N-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide.
What is the SMILES notation for N-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide?
The canonical SMILES for N-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)Nc1cc(N)c(C)cc1C.
What is the InChIKey of N-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide?
The InChIKey is GVSQMOPQGZMZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-9-6-10(2)14(8-13(9)18)19-16(20)12-5-4-11(17)7-15(12)21-3/h4-8H,18H2,1-3H3,(H,19,20).
What are the key properties of N-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide?
N-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide has a molecular weight of 304.78 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide is sourced from PubChem (CID 104756975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).