trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(5-hydroxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide

C16H14ClFN2O2 — CID 164642532

IUPACtrans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(5-hydroxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1cncc(O)c1)[C@H]1C[C@@H]1c1c(F)cccc1Cl
InChIInChI=1S/C16H14ClFN2O2/c17-13-2-1-3-14(18)15(13)11-5-12(11)16(22)20-7-9-4-10(21)8-19-6-9/h1-4,6,8,11-12,21H,5,7H2,(H,20,22)/t11-,12-/m0/s1
InChIKeyRNPHQIIHGCAYKP-RYUDHWBXSA-N
MW320.75 g/mol
LogP3.00
Rot. Bonds4

About trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(5-hydroxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(5-hydroxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide (PubChem CID 164642532) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(5-hydroxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(5-hydroxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
PubChem CID164642532
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC Nametrans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(5-hydroxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1cncc(O)c1)[C@H]1C[C@@H]1c1c(F)cccc1Cl
InChIInChI=1S/C16H14ClFN2O2/c17-13-2-1-3-14(18)15(13)11-5-12(11)16(22)20-7-9-4-10(21)8-19-6-9/h1-4,6,8,11-12,21H,5,7H2,(H,20,22)/t11-,12-/m0/s1
InChIKeyRNPHQIIHGCAYKP-RYUDHWBXSA-N
XLogP3.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(5-hydroxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119433671
2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid
CID 43810289
trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 97249215
cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 96564457
2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide
CID 122246847
N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55576532
cis-(1R,2S)-N-[(5-hydroxy-3-pyridinyl)methyl]-2-(oxan-4-yl)cyclopropane-1-carboxamide
CID 136586953
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119568012
3-[[(1S,2S)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704672
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]cyclopropane-1-carboxamide
CID 100620094
2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide
CID 119428601

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(5-hydroxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(5-hydroxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide (CID 164642532) is trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(5-hydroxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(5-hydroxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(5-hydroxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide is O=C(NCc1cncc(O)c1)[C@H]1C[C@@H]1c1c(F)cccc1Cl.
What is the InChIKey of trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(5-hydroxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is RNPHQIIHGCAYKP-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c17-13-2-1-3-14(18)15(13)11-5-12(11)16(22)20-7-9-4-10(21)8-19-6-9/h1-4,6,8,11-12,21H,5,7H2,(H,20,22)/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(5-hydroxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(5-hydroxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 320.75 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(5-hydroxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 164642532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).