N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide

C15H18ClFN2O2 — CID 84597968

IUPACN-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide
SMILESO=C(NC1CCN(c2ccc(F)c(Cl)c2)C1)C1CCOC1
InChIInChI=1S/C15H18ClFN2O2/c16-13-7-12(1-2-14(13)17)19-5-3-11(8-19)18-15(20)10-4-6-21-9-10/h1-2,7,10-11H,3-6,8-9H2,(H,18,20)
InChIKeyRRUDBVJBGNYWNW-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.21
Rot. Bonds3

About N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide

N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide (PubChem CID 84597968) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide
PubChem CID84597968
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide
SMILESO=C(NC1CCN(c2ccc(F)c(Cl)c2)C1)C1CCOC1
InChIInChI=1S/C15H18ClFN2O2/c16-13-7-12(1-2-14(13)17)19-5-3-11(8-19)18-15(20)10-4-6-21-9-10/h1-2,7,10-11H,3-6,8-9H2,(H,18,20)
InChIKeyRRUDBVJBGNYWNW-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3S)-1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide
CID 124776756
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 86783658
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-2-propan-2-ylsulfonylacetamide
CID 131961110
(3S)-N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]oxolane-3-carboxamide
CID 129378077
1-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-(5-hydroxypentan-2-yl)urea
CID 110012736
1-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 110012582
4-N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 138996052
3-[[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122066406
(3R)-1-(4-chloro-3-fluorophenyl)-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrrolidin-3-amine
CID 124614479
1-[5,6-dichloro-1-(4-fluorophenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 67034838
methyl 6-[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]pyridazine-3-carboxylate
CID 133438960
N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-(2,2-difluoroethyl)pyrazole-3-carboxamide
CID 139005974

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide (CID 84597968) is N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide is O=C(NC1CCN(c2ccc(F)c(Cl)c2)C1)C1CCOC1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide?
The InChIKey is RRUDBVJBGNYWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c16-13-7-12(1-2-14(13)17)19-5-3-11(8-19)18-15(20)10-4-6-21-9-10/h1-2,7,10-11H,3-6,8-9H2,(H,18,20).
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide?
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide has a molecular weight of 312.77 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 84597968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).