2-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide

C16H18ClN3O — CID 166855505

IUPAC2-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)c2cccc(N)c2)cc1Cl
InChIInChI=1S/C16H18ClN3O/c1-11-6-7-13(9-15(11)17)19-16(21)10-20(2)14-5-3-4-12(18)8-14/h3-9H,10,18H2,1-2H3,(H,19,21)
InChIKeyVJQTWJUGEVNAFY-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.31
Rot. Bonds4

About 2-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide

2-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 166855505) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID166855505
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)c2cccc(N)c2)cc1Cl
InChIInChI=1S/C16H18ClN3O/c1-11-6-7-13(9-15(11)17)19-16(21)10-20(2)14-5-3-4-12(18)8-14/h3-9H,10,18H2,1-2H3,(H,19,21)
InChIKeyVJQTWJUGEVNAFY-UHFFFAOYSA-N
XLogP3.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.31
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

N-(3-aminophenyl)-2-(N-methylanilino)acetamide
CID 16779401
2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide
CID 61297875
2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide
CID 61297509
2-(3-amino-N-ethylanilino)-N-(3-chlorophenyl)acetamide
CID 63229764
N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706053
N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-N-methylanilino)acetamide
CID 107733825
N-(3-chloro-4-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464468
2-(3-amino-N-ethylanilino)-N-(4-methylphenyl)acetamide
CID 63229853
ethyl 3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methylamino]propanoate
CID 62013382
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide
CID 79652359
2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113180171
N-(3-chloro-4-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437356

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide (CID 166855505) is 2-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)c2cccc(N)c2)cc1Cl.
What is the InChIKey of 2-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is VJQTWJUGEVNAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-6-7-13(9-15(11)17)19-16(21)10-20(2)14-5-3-4-12(18)8-14/h3-9H,10,18H2,1-2H3,(H,19,21).
What are the key properties of 2-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide?
2-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 303.79 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-N-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 166855505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).