N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide

C16H13ClF2N2O2 — CID 38956363

IUPACN-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H13ClF2N2O2/c1-21(2)16(23)10-3-5-11(17)14(8-10)20-15(22)9-4-6-12(18)13(19)7-9/h3-8H,1-2H3,(H,20,22)
InChIKeyDHIDCXCZYSJILV-UHFFFAOYSA-N
MW338.74 g/mol
LogP3.57
Rot. Bonds3

About N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide

N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide (PubChem CID 38956363) has the molecular formula C16H13ClF2N2O2 and a molecular weight of 338.74 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide
PubChem CID38956363
Molecular FormulaC16H13ClF2N2O2
Molecular Weight338.74 g/mol
Exact Mass338.06
IUPAC NameN-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H13ClF2N2O2/c1-21(2)16(23)10-3-5-11(17)14(8-10)20-15(22)9-4-6-12(18)13(19)7-9/h3-8H,1-2H3,(H,20,22)
InChIKeyDHIDCXCZYSJILV-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.74
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55669763
3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38957858
4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide
CID 38957688
3-[(2-bromo-4-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38956288
3-[(2-bromo-5-fluorobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38956193
5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618132
4-chloro-N,N-dimethyl-3-[[3-(propanoylamino)benzoyl]amino]benzamide
CID 55872367
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide
CID 39820893
N-(2-chloro-4-fluorophenyl)-3,4-difluorobenzamide
CID 30431388
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55670093

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide (CID 38956363) is N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide is CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide?
The InChIKey is DHIDCXCZYSJILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O2/c1-21(2)16(23)10-3-5-11(17)14(8-10)20-15(22)9-4-6-12(18)13(19)7-9/h3-8H,1-2H3,(H,20,22).
What are the key properties of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide?
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide has a molecular weight of 338.74 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide is sourced from PubChem (CID 38956363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).