N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide

C16H15Cl2NO — CID 112792499

IUPACN-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c1-11-5-3-4-6-13(11)16(20)19(2)10-12-7-8-14(17)15(18)9-12/h3-9H,10H2,1-2H3
InChIKeyGMGQPMIWXNHORU-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.57
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide

N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide (PubChem CID 112792499) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
PubChem CID112792499
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c1-11-5-3-4-6-13(11)16(20)19(2)10-12-7-8-14(17)15(18)9-12/h3-9H,10H2,1-2H3
InChIKeyGMGQPMIWXNHORU-UHFFFAOYSA-N
XLogP4.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81480668
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbenzamide
CID 60682669
N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide
CID 43908097
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide
CID 18081456
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118428
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,6-dimethylbenzamide
CID 61118547
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-propylsulfonylbenzamide
CID 39915950
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62510958
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938287
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide
CID 19460736
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 25163379

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide (CID 112792499) is N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide is Cc1ccccc1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide?
The InChIKey is GMGQPMIWXNHORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-11-5-3-4-6-13(11)16(20)19(2)10-12-7-8-14(17)15(18)9-12/h3-9H,10H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide?
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide has a molecular weight of 308.21 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 112792499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).