N-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide

C16H14Cl2N2O2 — CID 18432

IUPACN-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide
SMILESCN(C)C(=O)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2O2/c1-19(2)16(22)20(12-8-9-13(17)14(18)10-12)15(21)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyQQXXYTVEGCOZRF-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.32
Rot. Bonds2

About N-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide

N-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide (PubChem CID 18432) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide
PubChem CID18432
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC NameN-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide
SMILESCN(C)C(=O)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N2O2/c1-19(2)16(22)20(12-8-9-13(17)14(18)10-12)15(21)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyQQXXYTVEGCOZRF-UHFFFAOYSA-N
XLogP4.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1-(3,4-dichlorophenyl)-3,3-dimethylurea
CID 53440487
1-(3,4-dichlorophenyl)-1-(2-hydroxyethyl)-3,3-dimethylurea
CID 154198928
N-carbonochloridoyl-N-(3,4-dichlorophenyl)carbamoyl chloride
CID 21400337
N-benzoyl-N-[4-(dibenzoylamino)phenyl]benzamide
CID 171577154
3,4-dichloro-N-methyl-N-phenylaniline
CID 73012191
ethyl 3-(N-benzoyl-3,4-dichloroanilino)propanoate
CID 90470373
N-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide
CID 22405750
3,4-dichloro-N-methyl-N-pyridin-1-ium-1-ylbenzamide
CID 22749027
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
N-benzoyl-N-(2-chlorophenyl)benzamide
CID 10592933
(2R)-2-(N-benzoyl-4-chloro-3-fluoroanilino)propanoic acid
CID 100924231
N-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide
CID 14796735

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide (CID 18432) is N-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide is CN(C)C(=O)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide?
The InChIKey is QQXXYTVEGCOZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-19(2)16(22)20(12-8-9-13(17)14(18)10-12)15(21)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of N-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide?
N-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide has a molecular weight of 337.21 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide is sourced from PubChem (CID 18432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).