4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide

C16H16Cl2N2O — CID 43740076

IUPAC4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NCc2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C16H16Cl2N2O/c1-10-7-12(16(21)19-2)4-6-15(10)20-9-11-3-5-13(17)14(18)8-11/h3-8,20H,9H2,1-2H3,(H,19,21)
InChIKeyTZAJWCZHCFJAMY-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.27
Rot. Bonds4

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

4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide (PubChem CID 43740076) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide
PubChem CID43740076
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NCc2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C16H16Cl2N2O/c1-10-7-12(16(21)19-2)4-6-15(10)20-9-11-3-5-13(17)14(18)8-11/h3-8,20H,9H2,1-2H3,(H,19,21)
InChIKeyTZAJWCZHCFJAMY-UHFFFAOYSA-N
XLogP4.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide
CID 63646037
4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 81147765
4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline
CID 28545153
4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-dimethylbenzamide
CID 114936579
4-[(2,6-dimethylphenyl)methylamino]-N,3-dimethylbenzamide
CID 78997216
4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide
CID 43740066
4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,3-dimethylbenzamide
CID 102833731
N,3-dimethyl-4-[(3-methylimidazol-4-yl)methylamino]benzamide
CID 66118950
4-[(4-carboxyphenyl)methylamino]-3-methylbenzoic acid
CID 65348016
4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide
CID 43740131
4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide
CID 43740112
4-chloro-3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzamide
CID 43720994

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide (CID 43740076) is 4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide is CNC(=O)c1ccc(NCc2ccc(Cl)c(Cl)c2)c(C)c1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide?
The InChIKey is TZAJWCZHCFJAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-10-7-12(16(21)19-2)4-6-15(10)20-9-11-3-5-13(17)14(18)8-11/h3-8,20H,9H2,1-2H3,(H,19,21).
What are the key properties of 4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide?
4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide has a molecular weight of 323.22 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide is sourced from PubChem (CID 43740076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).