N-(6-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)cyclopropanecarboxamide

C12H11FN2O2 — CID 142450062

IUPACN-(6-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)cyclopropanecarboxamide
SMILESO=C1NCc2cc(F)c(NC(=O)C3CC3)cc21
InChIInChI=1S/C12H11FN2O2/c13-9-3-7-5-14-12(17)8(7)4-10(9)15-11(16)6-1-2-6/h3-4,6H,1-2,5H2,(H,14,17)(H,15,16)
InChIKeyAASNPBSCOPWFCL-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.42
Rot. Bonds2

About N-(6-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)cyclopropanecarboxamide

N-(6-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)cyclopropanecarboxamide (PubChem CID 142450062) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is N-(6-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)cyclopropanecarboxamide
PubChem CID142450062
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC NameN-(6-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)cyclopropanecarboxamide
SMILESO=C1NCc2cc(F)c(NC(=O)C3CC3)cc21
InChIInChI=1S/C12H11FN2O2/c13-9-3-7-5-14-12(17)8(7)4-10(9)15-11(16)6-1-2-6/h3-4,6H,1-2,5H2,(H,14,17)(H,15,16)
InChIKeyAASNPBSCOPWFCL-UHFFFAOYSA-N
XLogP1.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674429
N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708623
3-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)cyclopentane-1-carboxamide
CID 66009357
N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 102848007
methyl 4-(cyclopropanecarbonylamino)-2-fluoro-5-hydroxybenzoate
CID 167021138
N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
CID 675675
2,4-difluoro-5-[(6-oxopiperidine-3-carbonyl)amino]benzoic acid
CID 76876658
N-(2,4-difluorophenyl)-4-(methylamino)cyclohexane-1-carboxamide
CID 115150615
N-(2-fluoro-5-sulfamoylphenyl)cyclopropanecarboxamide
CID 61130725
N-(2,5-difluoro-4-methoxyphenyl)azetidine-3-carboxamide
CID 115158683
N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)piperidine-3-carboxamide
CID 43709579

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)cyclopropanecarboxamide?
The IUPAC name of N-(6-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)cyclopropanecarboxamide (CID 142450062) is N-(6-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(6-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(6-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)cyclopropanecarboxamide is O=C1NCc2cc(F)c(NC(=O)C3CC3)cc21.
What is the InChIKey of N-(6-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)cyclopropanecarboxamide?
The InChIKey is AASNPBSCOPWFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-9-3-7-5-14-12(17)8(7)4-10(9)15-11(16)6-1-2-6/h3-4,6H,1-2,5H2,(H,14,17)(H,15,16).
What are the key properties of N-(6-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)cyclopropanecarboxamide?
N-(6-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)cyclopropanecarboxamide has a molecular weight of 234.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-oxo-1,2-dihydroisoindol-5-yl)cyclopropanecarboxamide is sourced from PubChem (CID 142450062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).