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

C15H13ClF2N2O — CID 78776354

IUPAC2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
SMILESCN(C)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C15H13ClF2N2O/c1-20(2)10-5-3-9(4-6-10)19-15(21)11-7-13(17)14(18)8-12(11)16/h3-8H,1-2H3,(H,19,21)
InChIKeyVCKDNJYBGNLZHV-UHFFFAOYSA-N
MW310.73 g/mol
LogP3.94
Rot. Bonds3

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

2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide (PubChem CID 78776354) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is 2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
PubChem CID78776354
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC Name2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
SMILESCN(C)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C15H13ClF2N2O/c1-20(2)10-5-3-9(4-6-10)19-15(21)11-7-13(17)14(18)8-12(11)16/h3-8H,1-2H3,(H,19,21)
InChIKeyVCKDNJYBGNLZHV-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide
CID 8698727
2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide
CID 26178128
2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide
CID 26899774
2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 35364807
2-chloro-N-[4-(dimethylamino)phenyl]-5-nitrobenzamide
CID 874261
2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide
CID 27669089
N-[4-(4-bromophenyl)sulfanylphenyl]-2-chloro-4,5-difluorobenzamide
CID 2116645
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437
2-chloro-N-[3-(dimethylsulfamoylamino)phenyl]-4,5-difluorobenzamide
CID 1250955
2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide
CID 600447
2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide
CID 78783752
4-[(2-chloro-5-fluoro-4-methylbenzoyl)amino]benzoic acid
CID 117044904

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide (CID 78776354) is 2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide is CN(C)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide?
The InChIKey is VCKDNJYBGNLZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c1-20(2)10-5-3-9(4-6-10)19-15(21)11-7-13(17)14(18)8-12(11)16/h3-8H,1-2H3,(H,19,21).
What are the key properties of 2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide?
2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide has a molecular weight of 310.73 g/mol, XLogP of 3.94, 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-(dimethylamino)phenyl]-4,5-difluorobenzamide is sourced from PubChem (CID 78776354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).