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

C16H18ClN3O — CID 63361074

IUPAC4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClN3O/c1-20(2)16(21)12-5-8-14(18)15(9-12)19-10-11-3-6-13(17)7-4-11/h3-9,19H,10,18H2,1-2H3
InChIKeyUZYLPOYDCYVXLR-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.24
Rot. Bonds4

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

4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide (PubChem CID 63361074) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
PubChem CID63361074
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClN3O/c1-20(2)16(21)12-5-8-14(18)15(9-12)19-10-11-3-6-13(17)7-4-11/h3-9,19H,10,18H2,1-2H3
InChIKeyUZYLPOYDCYVXLR-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

3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 82991282
4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 63361195
4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 63358984
4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738722
4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide
CID 63361091
4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide
CID 43738745
4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63821309
4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide
CID 63361104
4-amino-3-(2-bromo-4-chloroanilino)-N,N-dimethylbenzamide
CID 81251794
4-chloro-3-[(3-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738770
4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide
CID 115515375
4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide
CID 106894872

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide (CID 63361074) is 4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)c(NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is UZYLPOYDCYVXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-20(2)16(21)12-5-8-14(18)15(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 4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide?
4-amino-3-[(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 4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 63361074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).