cis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide

C16H14F2N2O2 — CID 162477281

IUPACcis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)cn1)[C@@H]1C[C@@]1(CO)c1cccc(F)c1
InChIInChI=1S/C16H14F2N2O2/c17-11-3-1-2-10(6-11)16(9-21)7-13(16)15(22)20-14-5-4-12(18)8-19-14/h1-6,8,13,21H,7,9H2,(H,19,20,22)/t13-,16+/m0/s1
InChIKeyWKQBSCPYQRBENA-XJKSGUPXSA-N
MW304.30 g/mol
LogP2.25
Rot. Bonds4

About cis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide

cis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 162477281) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
PubChem CID162477281
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC Namecis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)cn1)[C@@H]1C[C@@]1(CO)c1cccc(F)c1
InChIInChI=1S/C16H14F2N2O2/c17-11-3-1-2-10(6-11)16(9-21)7-13(16)15(22)20-14-5-4-12(18)8-19-14/h1-6,8,13,21H,7,9H2,(H,19,20,22)/t13-,16+/m0/s1
InChIKeyWKQBSCPYQRBENA-XJKSGUPXSA-N
XLogP2.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-[[4-(hydroxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide
CID 56943658
cis-(1S,2R)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 124652776
cis-(1R,2S)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 57388409
N-(5-chloro-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 67473954
cis-(1R,2S)-2-[(2-ethyl-4-methylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 67474062
2-(3,4-dimethoxyphenyl)-2-[(4-fluorophenoxy)methyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 57388342
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 150811899
2-(2,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 67282691
N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 76534203
cis-(1R,2S)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 67282729
N-[1-[(2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropyl]ethenyl]-5-fluoropyridin-2-amine
CID 170239342
N-(5-chloro-4-methyl-2-pyridinyl)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 77259409

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide (CID 162477281) is cis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(F)cn1)[C@@H]1C[C@@]1(CO)c1cccc(F)c1.
What is the InChIKey of cis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide?
The InChIKey is WKQBSCPYQRBENA-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c17-11-3-1-2-10(6-11)16(9-21)7-13(16)15(22)20-14-5-4-12(18)8-19-14/h1-6,8,13,21H,7,9H2,(H,19,20,22)/t13-,16+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 304.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 162477281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).