N-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide

C16H18ClN3O — CID 62003331

IUPACN-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide
SMILESCc1ccccc1N(C)CC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C16H18ClN3O/c1-11-5-3-4-6-15(11)20(2)10-16(21)19-14-8-7-12(18)9-13(14)17/h3-9H,10,18H2,1-2H3,(H,19,21)
InChIKeyYWDWNDINPBRPGM-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.31
Rot. Bonds4

About N-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide

N-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide (PubChem CID 62003331) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide
PubChem CID62003331
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide
SMILESCc1ccccc1N(C)CC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C16H18ClN3O/c1-11-5-3-4-6-15(11)20(2)10-16(21)19-14-8-7-12(18)9-13(14)17/h3-9H,10,18H2,1-2H3,(H,19,21)
InChIKeyYWDWNDINPBRPGM-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-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide
CID 62002960
2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide
CID 61297509
3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 106914665
2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62921849
N-(4-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 18069719
N-(4-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61421626
N-(4-amino-2-chlorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 63015664
N-(4-amino-2-chlorophenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 28867352
N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-N-methylanilino)acetamide
CID 107733825
N-(4-amino-2-chlorophenyl)-2-[3-methoxypropyl(methyl)amino]acetamide
CID 62985316
N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62367069
2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide
CID 55005109

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide (CID 62003331) is N-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide is Cc1ccccc1N(C)CC(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide?
The InChIKey is YWDWNDINPBRPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-5-3-4-6-15(11)20(2)10-16(21)19-14-8-7-12(18)9-13(14)17/h3-9H,10,18H2,1-2H3,(H,19,21).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide?
N-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)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 N-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide is sourced from PubChem (CID 62003331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).