3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide

C16H18ClN3O — CID 82991282

IUPAC3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCc2ccc(Cl)cc2)c(N)c1
InChIInChI=1S/C16H18ClN3O/c1-20(2)16(21)12-5-8-15(14(18)9-12)19-10-11-3-6-13(17)7-4-11/h3-9,19H,10,18H2,1-2H3
InChIKeyZXPIATZTGLLTLL-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.24
Rot. Bonds4

About 3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide

3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide (PubChem CID 82991282) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
PubChem CID82991282
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCc2ccc(Cl)cc2)c(N)c1
InChIInChI=1S/C16H18ClN3O/c1-20(2)16(21)12-5-8-15(14(18)9-12)19-10-11-3-6-13(17)7-4-11/h3-9,19H,10,18H2,1-2H3
InChIKeyZXPIATZTGLLTLL-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 63361074
3-amino-N,N-dimethyl-4-[(2-methylphenyl)methylamino]benzamide
CID 82992007
4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
CID 82989637
4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738722
3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide
CID 82991043
1-[3-amino-4-[(4-methylphenyl)methylamino]phenyl]ethanone
CID 82482011
3-amino-4-[(3-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 82992028
3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide
CID 22181353
4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide
CID 43738745
3-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylbenzamide
CID 106167628
3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 106369571
3-amino-4-(3,4-difluoroanilino)-N,N-dimethylbenzamide
CID 82991008

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide (CID 82991282) is 3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NCc2ccc(Cl)cc2)c(N)c1.
What is the InChIKey of 3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is ZXPIATZTGLLTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-20(2)16(21)12-5-8-15(14(18)9-12)19-10-11-3-6-13(17)7-4-11/h3-9,19H,10,18H2,1-2H3.
What are the key properties of 3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide?
3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 303.79 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 82991282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).