trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide

C16H13F2NO — CID 118736163

IUPACtrans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C16H13F2NO/c17-11-4-6-13(7-5-11)19-16(20)15-9-14(15)10-2-1-3-12(18)8-10/h1-8,14-15H,9H2,(H,19,20)/t14-,15+/m1/s1
InChIKeyBRAZDVBIMMNBLE-CABCVRRESA-N
MW273.28 g/mol
LogP3.71
Rot. Bonds3

About trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 118736163) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID118736163
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Nametrans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)[C@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C16H13F2NO/c17-11-4-6-13(7-5-11)19-16(20)15-9-14(15)10-2-1-3-12(18)8-10/h1-8,14-15H,9H2,(H,19,20)/t14-,15+/m1/s1
InChIKeyBRAZDVBIMMNBLE-CABCVRRESA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-2-(3-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 95178508
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96564449
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
cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96564617
cis-(1R,2S)-2-phenyl-N-[4-[4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 93010782
2-(4-fluorophenyl)-N-[4-(4-hydroxypiperidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 71941507
N-(2-amino-4-fluorophenyl)-4-[[(1R)-2-phenylcyclopropanecarbonyl]amino]benzamide
CID 139325533
cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide
CID 95977222
N-(2-amino-4-fluorophenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide
CID 139325532
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 118736163) is trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(F)cc1)[C@H]1C[C@@H]1c1cccc(F)c1.
What is the InChIKey of trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is BRAZDVBIMMNBLE-CABCVRRESA-N. The full InChI is InChI=1S/C16H13F2NO/c17-11-4-6-13(7-5-11)19-16(20)15-9-14(15)10-2-1-3-12(18)8-10/h1-8,14-15H,9H2,(H,19,20)/t14-,15+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 273.28 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 118736163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).