N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide

C17H13FN2O — CID 82683758

IUPACN-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C17H13FN2O/c18-14-6-7-15(12(10-14)11-19)20-16(21)17(8-9-17)13-4-2-1-3-5-13/h1-7,10H,8-9H2,(H,20,21)
InChIKeyAMOPPSXYSLLDBQ-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.37
Rot. Bonds3

About N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide

N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 82683758) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID82683758
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC NameN-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C17H13FN2O/c18-14-6-7-15(12(10-14)11-19)20-16(21)17(8-9-17)13-4-2-1-3-5-13/h1-7,10H,8-9H2,(H,20,21)
InChIKeyAMOPPSXYSLLDBQ-UHFFFAOYSA-N
XLogP3.37
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2-cyanophenyl)-1-phenylcyclopropane-1-carboxamide
CID 62878827
N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100721529
1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide
CID 82016106
1-(2-cyano-4-fluorophenyl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 78896439
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
N-(2-fluoro-4-hydroxyphenyl)-1-phenylcyclopropane-1-carboxamide
CID 64786881
3-amino-N-(2-cyano-4-fluorophenyl)oxolane-3-carboxamide
CID 82016621
N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide
CID 79954684
N-(2-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104597157
N-(2,6-difluoro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 99792370
N-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide
CID 91662349
N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 79955008

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide (CID 82683758) is N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide is N#Cc1cc(F)ccc1NC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is AMOPPSXYSLLDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c18-14-6-7-15(12(10-14)11-19)20-16(21)17(8-9-17)13-4-2-1-3-5-13/h1-7,10H,8-9H2,(H,20,21).
What are the key properties of N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide?
N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 82683758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).