4-[[[2-(4-chlorophenyl)phenyl]methylamino]methyl]-N,N-dimethylbenzamide

C23H23ClN2O — CID 146147204

IUPAC4-[[[2-(4-chlorophenyl)phenyl]methylamino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CNCc2ccccc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H23ClN2O/c1-26(2)23(27)19-9-7-17(8-10-19)15-25-16-20-5-3-4-6-22(20)18-11-13-21(24)14-12-18/h3-14,25H,15-16H2,1-2H3
InChIKeyUXWQXKHYQVGHNL-UHFFFAOYSA-N
MW378.90 g/mol
LogP5.00
Rot. Bonds6

About 4-[[[2-(4-chlorophenyl)phenyl]methylamino]methyl]-N,N-dimethylbenzamide

4-[[[2-(4-chlorophenyl)phenyl]methylamino]methyl]-N,N-dimethylbenzamide (PubChem CID 146147204) has the molecular formula C23H23ClN2O and a molecular weight of 378.90 g/mol. Its IUPAC name is 4-[[[2-(4-chlorophenyl)phenyl]methylamino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[[2-(4-chlorophenyl)phenyl]methylamino]methyl]-N,N-dimethylbenzamide
PubChem CID146147204
Molecular FormulaC23H23ClN2O
Molecular Weight378.90 g/mol
Exact Mass378.15
IUPAC Name4-[[[2-(4-chlorophenyl)phenyl]methylamino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CNCc2ccccc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H23ClN2O/c1-26(2)23(27)19-9-7-17(8-10-19)15-25-16-20-5-3-4-6-22(20)18-11-13-21(24)14-12-18/h3-14,25H,15-16H2,1-2H3
InChIKeyUXWQXKHYQVGHNL-UHFFFAOYSA-N
XLogP5.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-chlorophenyl)phenyl]methyl]ethanamine
CID 54911635
4-[(4-chlorophenyl)methylcarbamothioylamino]-N,N-dimethylbenzamide
CID 100589417
1-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
CID 110923275
1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 8898296
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 46535520
3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110923423
N,N-dimethyl-4-(methylaminomethyl)benzamide
CID 155590632
3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide
CID 46529777
4-amino-N-[[2-(4-chlorophenyl)phenyl]methyl]pentanamide
CID 120562027
4-chloro-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-nitrobenzamide
CID 24661051
4-[[(4-chlorophenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6458865
2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457786

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(4-chlorophenyl)phenyl]methylamino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[[2-(4-chlorophenyl)phenyl]methylamino]methyl]-N,N-dimethylbenzamide (CID 146147204) is 4-[[[2-(4-chlorophenyl)phenyl]methylamino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[[2-(4-chlorophenyl)phenyl]methylamino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[[2-(4-chlorophenyl)phenyl]methylamino]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CNCc2ccccc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[[2-(4-chlorophenyl)phenyl]methylamino]methyl]-N,N-dimethylbenzamide?
The InChIKey is UXWQXKHYQVGHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O/c1-26(2)23(27)19-9-7-17(8-10-19)15-25-16-20-5-3-4-6-22(20)18-11-13-21(24)14-12-18/h3-14,25H,15-16H2,1-2H3.
What are the key properties of 4-[[[2-(4-chlorophenyl)phenyl]methylamino]methyl]-N,N-dimethylbenzamide?
4-[[[2-(4-chlorophenyl)phenyl]methylamino]methyl]-N,N-dimethylbenzamide has a molecular weight of 378.90 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(4-chlorophenyl)phenyl]methylamino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 146147204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).