N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide

C18H16FNO2 — CID 110423595

IUPACN-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2(c3ccccc3F)CC2)c1
InChIInChI=1S/C18H16FNO2/c1-12(21)13-5-4-6-14(11-13)20-17(22)18(9-10-18)15-7-2-3-8-16(15)19/h2-8,11H,9-10H2,1H3,(H,20,22)
InChIKeyJOKQCLGKDLFEJT-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.70
Rot. Bonds4

About N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide

N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 110423595) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID110423595
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC NameN-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2(c3ccccc3F)CC2)c1
InChIInChI=1S/C18H16FNO2/c1-12(21)13-5-4-6-14(11-13)20-17(22)18(9-10-18)15-7-2-3-8-16(15)19/h2-8,11H,9-10H2,1H3,(H,20,22)
InChIKeyJOKQCLGKDLFEJT-UHFFFAOYSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110438589
N-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 110439373
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2369876
N-(3-acetylphenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439190
N-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide
CID 155944841
1-(2-fluorophenyl)-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 110463999
N-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134703607
methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
CID 110438930
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110426208
N-(3-acetylphenyl)-1-(5-chloro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211009
3-[[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]phenyl]methylsulfanyl]propanoic acid
CID 119241261
2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
CID 122110125

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 110423595) is N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide is CC(=O)c1cccc(NC(=O)C2(c3ccccc3F)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is JOKQCLGKDLFEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-12(21)13-5-4-6-14(11-13)20-17(22)18(9-10-18)15-7-2-3-8-16(15)19/h2-8,11H,9-10H2,1H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 297.33 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110423595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).