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

C16H16ClNO — CID 43908097

IUPACN-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO/c1-12-5-3-4-6-15(12)16(19)18(2)11-13-7-9-14(17)10-8-13/h3-10H,11H2,1-2H3
InChIKeyXIYQYFORCSASDK-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.92
Rot. Bonds3

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

N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide (PubChem CID 43908097) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide
PubChem CID43908097
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO/c1-12-5-3-4-6-15(12)16(19)18(2)11-13-7-9-14(17)10-8-13/h3-10H,11H2,1-2H3
InChIKeyXIYQYFORCSASDK-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399775
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 112792499
N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide
CID 8835627
2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 80718972
2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 55358384
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]benzoic acid
CID 28798661
2-amino-N,3-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 28798437
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81479696
N-(4-chlorophenyl)-2-methylbenzohydrazide
CID 174751857
2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 28799501

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide (CID 43908097) is N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide is Cc1ccccc1C(=O)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide?
The InChIKey is XIYQYFORCSASDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-12-5-3-4-6-15(12)16(19)18(2)11-13-7-9-14(17)10-8-13/h3-10H,11H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide?
N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide has a molecular weight of 273.76 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 43908097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).