2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide

C16H22FNO — CID 71881321

IUPAC2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide
SMILESCCCC(C)(C)NC(=O)C1CC1c1cccc(F)c1
InChIInChI=1S/C16H22FNO/c1-4-8-16(2,3)18-15(19)14-10-13(14)11-6-5-7-12(17)9-11/h5-7,9,13-14H,4,8,10H2,1-3H3,(H,18,19)
InChIKeyUVGNUYICQBZGOC-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.62
Rot. Bonds5

About 2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide

2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide (PubChem CID 71881321) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide
PubChem CID71881321
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide
SMILESCCCC(C)(C)NC(=O)C1CC1c1cccc(F)c1
InChIInChI=1S/C16H22FNO/c1-4-8-16(2,3)18-15(19)14-10-13(14)11-6-5-7-12(17)9-11/h5-7,9,13-14H,4,8,10H2,1-3H3,(H,18,19)
InChIKeyUVGNUYICQBZGOC-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119524603
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 111335296
trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 118736163
trans-(1S,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
CID 95568794
cis-(1R,2S)-2-(3-fluorophenyl)-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
CID 95568796
2-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
CID 111441943
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 86851617
N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 110001055
(3S)-3-[[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 97310726
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 111451610
trans-(1S,2S)-N-(1-cyclopropylpiperidin-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 95180005
4-methyl-2-(2-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114391356

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide (CID 71881321) is 2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide is CCCC(C)(C)NC(=O)C1CC1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is UVGNUYICQBZGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-4-8-16(2,3)18-15(19)14-10-13(14)11-6-5-7-12(17)9-11/h5-7,9,13-14H,4,8,10H2,1-3H3,(H,18,19).
What are the key properties of 2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide?
2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 263.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71881321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).