N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide

C11H9FN2O — CID 43580354

IUPACN-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide
SMILESN#Cc1c(F)cccc1NC(=O)C1CC1
InChIInChI=1S/C11H9FN2O/c12-9-2-1-3-10(8(9)6-13)14-11(15)7-4-5-7/h1-3,7H,4-5H2,(H,14,15)
InChIKeySYQYORAIYQBYKB-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.05
Rot. Bonds2

About N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide

N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide (PubChem CID 43580354) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide
PubChem CID43580354
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC NameN-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide
SMILESN#Cc1c(F)cccc1NC(=O)C1CC1
InChIInChI=1S/C11H9FN2O/c12-9-2-1-3-10(8(9)6-13)14-11(15)7-4-5-7/h1-3,7H,4-5H2,(H,14,15)
InChIKeySYQYORAIYQBYKB-UHFFFAOYSA-N
XLogP2.05
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyano-3-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703249
N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide
CID 61276767
N-(2-cyano-3-fluorophenyl)piperidine-3-carboxamide
CID 43580743
3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
CID 63041812
N-(2-cyano-3-fluorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 71999484
2-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
CID 64824294
5-[(2-cyano-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687786
N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide
CID 43580330
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
N-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide
CID 78954561
3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea
CID 43580526

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide (CID 43580354) is N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide is N#Cc1c(F)cccc1NC(=O)C1CC1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide?
The InChIKey is SYQYORAIYQBYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c12-9-2-1-3-10(8(9)6-13)14-11(15)7-4-5-7/h1-3,7H,4-5H2,(H,14,15).
What are the key properties of N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide?
N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide has a molecular weight of 204.20 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)cyclopropanecarboxamide is sourced from PubChem (CID 43580354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).