N-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide

C14H10ClF3N2O — CID 63187023

IUPACN-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)Nc2cccc(Cl)c2F)cc1F
InChIInChI=1S/C14H10ClF3N2O/c1-19-13-9(16)5-7(6-10(13)17)14(21)20-11-4-2-3-8(15)12(11)18/h2-6,19H,1H3,(H,20,21)
InChIKeyCXQMNPMRWXGUMW-UHFFFAOYSA-N
MW314.69 g/mol
LogP4.05
Rot. Bonds3

About N-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide

N-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide (PubChem CID 63187023) has the molecular formula C14H10ClF3N2O and a molecular weight of 314.69 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide
PubChem CID63187023
Molecular FormulaC14H10ClF3N2O
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC NameN-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)Nc2cccc(Cl)c2F)cc1F
InChIInChI=1S/C14H10ClF3N2O/c1-19-13-9(16)5-7(6-10(13)17)14(21)20-11-4-2-3-8(15)12(11)18/h2-6,19H,1H3,(H,20,21)
InChIKeyCXQMNPMRWXGUMW-UHFFFAOYSA-N
XLogP4.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62166988
3,5-diamino-N-(3-chloro-2-fluorophenyl)benzamide
CID 61093166
N-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide
CID 107631048
4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
CID 43452947
N-(2-bromo-3-chlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 103481479
4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide
CID 28969294
N-(2,6-dichlorophenyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 65499076
N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532988
N-(2-chlorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 55099714
5-bromo-N-(3-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 9145915
2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 55041638
3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 61076065

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide (CID 63187023) is N-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide is CNc1c(F)cc(C(=O)Nc2cccc(Cl)c2F)cc1F.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide?
The InChIKey is CXQMNPMRWXGUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O/c1-19-13-9(16)5-7(6-10(13)17)14(21)20-11-4-2-3-8(15)12(11)18/h2-6,19H,1H3,(H,20,21).
What are the key properties of N-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide?
N-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide has a molecular weight of 314.69 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide is sourced from PubChem (CID 63187023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).