trans-(1R,2R)-2-(3-chlorophenyl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide

C22H24ClFN2O2 — CID 95764847

IUPACtrans-(1R,2R)-2-(3-chlorophenyl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C22H24ClFN2O2/c23-16-3-1-2-15(11-16)18-12-19(18)22(28)25-13-14-4-5-21(20(24)10-14)26-8-6-17(27)7-9-26/h1-5,10-11,17-19,27H,6-9,12-13H2,(H,25,28)/t18-,19+/m0/s1
InChIKeyFUDMLYYDMIVLMI-RBUKOAKNSA-N
MW402.90 g/mol
LogP3.86
Rot. Bonds5

About trans-(1R,2R)-2-(3-chlorophenyl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(3-chlorophenyl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 95764847) has the molecular formula C22H24ClFN2O2 and a molecular weight of 402.90 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-chlorophenyl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-chlorophenyl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID95764847
Molecular FormulaC22H24ClFN2O2
Molecular Weight402.90 g/mol
Exact Mass402.15
IUPAC Nametrans-(1R,2R)-2-(3-chlorophenyl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C22H24ClFN2O2/c23-16-3-1-2-15(11-16)18-12-19(18)22(28)25-13-14-4-5-21(20(24)10-14)26-8-6-17(27)7-9-26/h1-5,10-11,17-19,27H,6-9,12-13H2,(H,25,28)/t18-,19+/m0/s1
InChIKeyFUDMLYYDMIVLMI-RBUKOAKNSA-N
XLogP3.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-(3-chlorophenyl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 110904323
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-nitrocyclopropane-1-carboxamide
CID 71886355
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea
CID 110929833
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 86851617
trans-(1R,2R)-N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 124690541
cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 95192041
cis-(1S,2R)-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 95050916
1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea
CID 110922120
1-butyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]urea
CID 110900135
2-(3-chlorophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 49159046
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea
CID 109397854

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-chlorophenyl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(3-chlorophenyl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide (CID 95764847) is trans-(1R,2R)-2-(3-chlorophenyl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(3-chlorophenyl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(3-chlorophenyl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide is O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]1c1cccc(Cl)c1.
What is the InChIKey of trans-(1R,2R)-2-(3-chlorophenyl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is FUDMLYYDMIVLMI-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H24ClFN2O2/c23-16-3-1-2-15(11-16)18-12-19(18)22(28)25-13-14-4-5-21(20(24)10-14)26-8-6-17(27)7-9-26/h1-5,10-11,17-19,27H,6-9,12-13H2,(H,25,28)/t18-,19+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(3-chlorophenyl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(3-chlorophenyl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 402.90 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-chlorophenyl)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95764847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).