N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide

C18H18ClFN2O2 — CID 97109107

IUPACN-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H18ClFN2O2/c19-14-3-2-13(11-15(14)20)18-16(7-10-24-18)22-17(23)4-1-12-5-8-21-9-6-12/h2-3,5-6,8-9,11,16,18H,1,4,7,10H2,(H,22,23)/t16-,18-/m1/s1
InChIKeyPFMCVSHPYUWXCK-SJLPKXTDSA-N
MW348.81 g/mol
LogP3.45
Rot. Bonds5

About N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide

N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide (PubChem CID 97109107) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide
PubChem CID97109107
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC NameN-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H18ClFN2O2/c19-14-3-2-13(11-15(14)20)18-16(7-10-24-18)22-17(23)4-1-12-5-8-21-9-6-12/h2-3,5-6,8-9,11,16,18H,1,4,7,10H2,(H,22,23)/t16-,18-/m1/s1
InChIKeyPFMCVSHPYUWXCK-SJLPKXTDSA-N
XLogP3.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]amino]-2-oxoethyl]benzoic acid
CID 120552150
ethyl 3-[[(2S,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]amino]-3-oxopropanoate
CID 139021689
N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 84595648
4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-4-oxobutanoic acid
CID 120552158
3-[(2R,3R)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 97259063
3-[[[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]amino]methyl]benzoic acid
CID 122032419
N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 97109066
(2S)-N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-4-methylmorpholine-2-carboxamide
CID 97109067
N-[(6R,7S)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]acetamide
CID 66976115
N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide
CID 104957512
3-[2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-2-oxoethyl]benzoic acid
CID 120552164
3-(4-fluorophenyl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]propanamide
CID 128969379

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide (CID 97109107) is N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide is O=C(CCc1ccncc1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide?
The InChIKey is PFMCVSHPYUWXCK-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c19-14-3-2-13(11-15(14)20)18-16(7-10-24-18)22-17(23)4-1-12-5-8-21-9-6-12/h2-3,5-6,8-9,11,16,18H,1,4,7,10H2,(H,22,23)/t16-,18-/m1/s1.
What are the key properties of N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide?
N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide has a molecular weight of 348.81 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 97109107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).