N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide

C14H11F3N2O — CID 62650098

IUPACN-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H11F3N2O/c1-18-13-11(3-2-4-12(13)17)14(20)19-10-6-8(15)5-9(16)7-10/h2-7,18H,1H3,(H,19,20)
InChIKeyGPLBUPDGXCQPDY-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.40
Rot. Bonds3

About N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide

N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide (PubChem CID 62650098) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide
PubChem CID62650098
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC NameN-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C14H11F3N2O/c1-18-13-11(3-2-4-12(13)17)14(20)19-10-6-8(15)5-9(16)7-10/h2-7,18H,1H3,(H,19,20)
InChIKeyGPLBUPDGXCQPDY-UHFFFAOYSA-N
XLogP3.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide
CID 62648773
3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
CID 62808855
2,3-difluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79055067
N-(2-chlorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 55099714
N-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide
CID 62662482
3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62649569
N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 82682867
N-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide
CID 62649691
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
N-(dicyclopropylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62662473
N-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide
CID 62649355
3-fluoro-2-(methylamino)-N-pyrazin-2-ylbenzamide
CID 62661875

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide?
The IUPAC name of N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide (CID 62650098) is N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide?
The canonical SMILES for N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide is CNc1c(F)cccc1C(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide?
The InChIKey is GPLBUPDGXCQPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c1-18-13-11(3-2-4-12(13)17)14(20)19-10-6-8(15)5-9(16)7-10/h2-7,18H,1H3,(H,19,20).
What are the key properties of N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide?
N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide has a molecular weight of 280.25 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide is sourced from PubChem (CID 62650098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).