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

C16H13ClF2N2O2 — CID 8698727

IUPAC2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C16H13ClF2N2O2/c1-21(2)16(23)9-3-5-10(6-4-9)20-15(22)11-7-13(18)14(19)8-12(11)17/h3-8H,1-2H3,(H,20,22)
InChIKeyAJNGMVNVYSHNCO-UHFFFAOYSA-N
MW338.74 g/mol
LogP3.57
Rot. Bonds3

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

2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide (PubChem CID 8698727) has the molecular formula C16H13ClF2N2O2 and a molecular weight of 338.74 g/mol. Its IUPAC name is 2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide
PubChem CID8698727
Molecular FormulaC16H13ClF2N2O2
Molecular Weight338.74 g/mol
Exact Mass338.06
IUPAC Name2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C16H13ClF2N2O2/c1-21(2)16(23)9-3-5-10(6-4-9)20-15(22)11-7-13(18)14(19)8-12(11)17/h3-8H,1-2H3,(H,20,22)
InChIKeyAJNGMVNVYSHNCO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide
CID 26899774
2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
CID 78776354
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698586
4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid
CID 117044904
2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide
CID 26178128
4-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 81229781
2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 35364807
2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 46823403
2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide
CID 27669089
2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 39951792
N-[4-(4-bromophenyl)sulfanylphenyl]-2-chloro-4,5-difluorobenzamide
CID 2116645
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide (CID 8698727) is 2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide is CN(C)C(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide?
The InChIKey is AJNGMVNVYSHNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O2/c1-21(2)16(23)9-3-5-10(6-4-9)20-15(22)11-7-13(18)14(19)8-12(11)17/h3-8H,1-2H3,(H,20,22).
What are the key properties of 2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide?
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-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 2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide is sourced from PubChem (CID 8698727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).