cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide

C17H15F2NO2 — CID 32611358

IUPACcis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H15F2NO2/c1-22-16-8-12(19)6-7-15(16)20-17(21)14-9-13(14)10-2-4-11(18)5-3-10/h2-8,13-14H,9H2,1H3,(H,20,21)/t13-,14-/m1/s1
InChIKeyXYZMJGMIIUVGER-ZIAGYGMSSA-N
MW303.31 g/mol
LogP3.72
Rot. Bonds4

About cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide

cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 32611358) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID32611358
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Namecis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H15F2NO2/c1-22-16-8-12(19)6-7-15(16)20-17(21)14-9-13(14)10-2-4-11(18)5-3-10/h2-8,13-14H,9H2,1H3,(H,20,21)/t13-,14-/m1/s1
InChIKeyXYZMJGMIIUVGER-ZIAGYGMSSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoic acid
CID 119214366
N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 3698096
N-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 47024485
2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 84569198
N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 78971301
2-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 51291677
trans-(1R,2R)-N-(4-acetamido-3-chlorophenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 30461454
N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009885
trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7409539
cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79526534
2-(4-tert-butylphenyl)-N-(5-chloro-2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 2933931

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 32611358) is cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide is COc1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is XYZMJGMIIUVGER-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H15F2NO2/c1-22-16-8-12(19)6-7-15(16)20-17(21)14-9-13(14)10-2-4-11(18)5-3-10/h2-8,13-14H,9H2,1H3,(H,20,21)/t13-,14-/m1/s1.
What are the key properties of cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 303.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 32611358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).