3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide

C14H12F2N2O — CID 62648773

IUPAC3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12F2N2O/c1-17-13-11(3-2-4-12(13)16)14(19)18-10-7-5-9(15)6-8-10/h2-8,17H,1H3,(H,18,19)
InChIKeyJAYHLRKKVFYVBB-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.26
Rot. Bonds3

About 3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide

3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide (PubChem CID 62648773) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide
PubChem CID62648773
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12F2N2O/c1-17-13-11(3-2-4-12(13)16)14(19)18-10-7-5-9(15)6-8-10/h2-8,17H,1H3,(H,18,19)
InChIKeyJAYHLRKKVFYVBB-UHFFFAOYSA-N
XLogP3.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 62650098
N-[4-(cyanomethyl)phenyl]-3-fluoro-2-(methylamino)benzamide
CID 62662482
3-fluoro-N-(4-fluorophenyl)-2-methoxybenzamide
CID 175986233
3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
CID 62808855
N-(2-chlorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 55099714
N-(4-fluorophenyl)-3-(methylamino)-2-nitrobenzamide
CID 115548321
N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 82682867
N-[4-(dimethylamino)phenyl]-3-fluoro-2-hydrazinylbenzamide
CID 62660783
N-(dicyclopropylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62662473
3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62649569
N-(2,6-dichloro-3-methylphenyl)-3-fluoro-2-(methylamino)benzamide
CID 62649355
3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide
CID 114914408

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide?
The IUPAC name of 3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide (CID 62648773) is 3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide.
What is the SMILES notation for 3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide?
The canonical SMILES for 3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide is CNc1c(F)cccc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide?
The InChIKey is JAYHLRKKVFYVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-17-13-11(3-2-4-12(13)16)14(19)18-10-7-5-9(15)6-8-10/h2-8,17H,1H3,(H,18,19).
What are the key properties of 3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide?
3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide has a molecular weight of 262.26 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide is sourced from PubChem (CID 62648773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).