1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone

C14H10F3NO — CID 82122507

IUPAC1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone
SMILESO=C(CNc1cccc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10F3NO/c15-10-2-1-3-11(7-10)18-8-14(19)9-4-5-12(16)13(17)6-9/h1-7,18H,8H2
InChIKeyNXUYMLJPXIPCIZ-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.40
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone

1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone (PubChem CID 82122507) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone
PubChem CID82122507
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone
SMILESO=C(CNc1cccc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10F3NO/c15-10-2-1-3-11(7-10)18-8-14(19)9-4-5-12(16)13(17)6-9/h1-7,18H,8H2
InChIKeyNXUYMLJPXIPCIZ-UHFFFAOYSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone
CID 82483415
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone
CID 82123612
2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone
CID 102007903
1-(3-amino-4-fluorophenyl)-2-anilinoethanone
CID 82478373
1-(3-fluoro-4-methoxyphenyl)-2-(3-iodoanilino)ethanone
CID 110823700
2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone
CID 110823607
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 9099614
1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one
CID 17138754
2-(3-fluoroanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31665741
2-(4-fluoro-3-methoxyanilino)-N-(3-fluorophenyl)acetamide
CID 114839513
2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 29450858
1-(1,3-benzodioxol-5-yl)-3-(3-fluoroanilino)propan-1-one
CID 5298907

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone (CID 82122507) is 1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone is O=C(CNc1cccc(F)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone?
The InChIKey is NXUYMLJPXIPCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c15-10-2-1-3-11(7-10)18-8-14(19)9-4-5-12(16)13(17)6-9/h1-7,18H,8H2.
What are the key properties of 1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone?
1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone has a molecular weight of 265.23 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone is sourced from PubChem (CID 82122507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).