3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]benzamide

C17H14F2N2O2 — CID 139003868

IUPAC3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)C2CC2c2cccc(F)c2F)c1
InChIInChI=1S/C17H14F2N2O2/c18-14-6-2-5-11(15(14)19)12-8-13(12)17(23)21-10-4-1-3-9(7-10)16(20)22/h1-7,12-13H,8H2,(H2,20,22)(H,21,23)
InChIKeyIESOIQQQBAPEKA-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.81
Rot. Bonds4

About 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]benzamide

3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]benzamide (PubChem CID 139003868) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]benzamide
PubChem CID139003868
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)C2CC2c2cccc(F)c2F)c1
InChIInChI=1S/C17H14F2N2O2/c18-14-6-2-5-11(15(14)19)12-8-13(12)17(23)21-10-4-1-3-9(7-10)16(20)22/h1-7,12-13H,8H2,(H2,20,22)(H,21,23)
InChIKeyIESOIQQQBAPEKA-UHFFFAOYSA-N
XLogP2.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 51295099
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119466084
3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide
CID 139011850
3-[[(1S,2R)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704689
1-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 119176592
2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977967
2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225395
(2S)-2-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119238212
trans-(1R,2R)-N-(cyclobutylmethyl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide
CID 97076598
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide
CID 119459666
3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide
CID 51295410
4-[[(1R,2S)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 125132036

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]benzamide?
The IUPAC name of 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]benzamide (CID 139003868) is 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]benzamide is NC(=O)c1cccc(NC(=O)C2CC2c2cccc(F)c2F)c1.
What is the InChIKey of 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]benzamide?
The InChIKey is IESOIQQQBAPEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c18-14-6-2-5-11(15(14)19)12-8-13(12)17(23)21-10-4-1-3-9(7-10)16(20)22/h1-7,12-13H,8H2,(H2,20,22)(H,21,23).
What are the key properties of 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]benzamide?
3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]benzamide has a molecular weight of 316.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 139003868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).