N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-2-carboxamide

C16H16ClFN2O2 — CID 124778983

IUPACN-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-2-carboxamide
SMILESCN1CC[C@@H](NC(=O)c2ccco2)[C@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H16ClFN2O2/c1-20-7-6-13(19-16(21)14-3-2-8-22-14)15(20)10-4-5-11(17)12(18)9-10/h2-5,8-9,13,15H,6-7H2,1H3,(H,19,21)/t13-,15-/m1/s1
InChIKeyZUBHZUVBSVRUND-UKRRQHHQSA-N
MW322.77 g/mol
LogP3.25
Rot. Bonds3

About N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-2-carboxamide

N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 124778983) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-2-carboxamide
PubChem CID124778983
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC NameN-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-2-carboxamide
SMILESCN1CC[C@@H](NC(=O)c2ccco2)[C@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H16ClFN2O2/c1-20-7-6-13(19-16(21)14-3-2-8-22-14)15(20)10-4-5-11(17)12(18)9-10/h2-5,8-9,13,15H,6-7H2,1H3,(H,19,21)/t13-,15-/m1/s1
InChIKeyZUBHZUVBSVRUND-UKRRQHHQSA-N
XLogP3.25
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide
CID 124778682
N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide
CID 97242613
cis-(1S,3R)-3-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066314
N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methanesulfonamide
CID 97242249
5-[[(2S,3R)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 167847736
N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 75394866
N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide
CID 129378868
N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 129378843
2-(2-chloro-6-fluorophenyl)-N-[(2S,3R)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]acetamide
CID 97061922
N-[(2S,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 99850796
(3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide
CID 129432752
N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 124856956

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-2-carboxamide (CID 124778983) is N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-2-carboxamide is CN1CC[C@@H](NC(=O)c2ccco2)[C@H]1c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is ZUBHZUVBSVRUND-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c1-20-7-6-13(19-16(21)14-3-2-8-22-14)15(20)10-4-5-11(17)12(18)9-10/h2-5,8-9,13,15H,6-7H2,1H3,(H,19,21)/t13-,15-/m1/s1.
What are the key properties of N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-2-carboxamide?
N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 322.77 g/mol, XLogP of 3.25, 3 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)-1-methylpyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 124778983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).