trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide

C18H18ClFN2O2 — CID 97249215

IUPACtrans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C([C@H]1C[C@@H]1c1c(F)cccc1Cl)N(CCO)Cc1cccnc1
InChIInChI=1S/C18H18ClFN2O2/c19-15-4-1-5-16(20)17(15)13-9-14(13)18(24)22(7-8-23)11-12-3-2-6-21-10-12/h1-6,10,13-14,23H,7-9,11H2/t13-,14-/m0/s1
InChIKeyFVVADMJVZVFGOS-KBPBESRZSA-N
MW348.81 g/mol
LogP3.00
Rot. Bonds6

About trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 97249215) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID97249215
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Nametrans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C([C@H]1C[C@@H]1c1c(F)cccc1Cl)N(CCO)Cc1cccnc1
InChIInChI=1S/C18H18ClFN2O2/c19-15-4-1-5-16(20)17(15)13-9-14(13)18(24)22(7-8-23)11-12-3-2-6-21-10-12/h1-6,10,13-14,23H,7-9,11H2/t13-,14-/m0/s1
InChIKeyFVVADMJVZVFGOS-KBPBESRZSA-N
XLogP3.00
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111022328
2-phenyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 71876328
trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(5-hydroxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 164642532
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110426908
N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 166414550
N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 168853651
1-(2,3-difluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 154841949
N-benzyl-N-(2-hydroxyethyl)-2-pyridin-3-ylacetamide
CID 62689181
3-chloro-N-(2-hydroxyethyl)-5-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 75435792
2-[[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 124685331
N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylcyclopropane-1-carboxamide
CID 91653095
N-(3-aminopropyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 107000128

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide (CID 97249215) is trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide is O=C([C@H]1C[C@@H]1c1c(F)cccc1Cl)N(CCO)Cc1cccnc1.
What is the InChIKey of trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is FVVADMJVZVFGOS-KBPBESRZSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c19-15-4-1-5-16(20)17(15)13-9-14(13)18(24)22(7-8-23)11-12-3-2-6-21-10-12/h1-6,10,13-14,23H,7-9,11H2/t13-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 348.81 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 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-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97249215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).