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

C16H16ClFN2O2 — CID 97242613

IUPACN-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide
SMILESCN1CC[C@H](NC(=O)c2ccoc2)[C@@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H16ClFN2O2/c1-20-6-4-14(19-16(21)11-5-7-22-9-11)15(20)10-2-3-12(17)13(18)8-10/h2-3,5,7-9,14-15H,4,6H2,1H3,(H,19,21)/t14-,15-/m0/s1
InChIKeyVWZROAWNMDUTLY-GJZGRUSLSA-N
MW322.77 g/mol
LogP3.25
Rot. Bonds3

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

N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide (PubChem CID 97242613) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide
PubChem CID97242613
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC NameN-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide
SMILESCN1CC[C@H](NC(=O)c2ccoc2)[C@@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H16ClFN2O2/c1-20-6-4-14(19-16(21)11-5-7-22-9-11)15(20)10-2-3-12(17)13(18)8-10/h2-3,5,7-9,14-15H,4,6H2,1H3,(H,19,21)/t14-,15-/m0/s1
InChIKeyVWZROAWNMDUTLY-GJZGRUSLSA-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-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-2-carboxamide
CID 124778983
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
(2R)-N-[(2S,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxopiperidine-2-carboxamide
CID 146150243
5-[[(2S,3R)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 167847736
N-[(2S,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 99850796
N-[(2R,3S)-2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide
CID 124777214
6-amino-5-chloro-N-[(2S,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 97242983
2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide
CID 127904280
N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 75394866
(3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide
CID 129432752

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide (CID 97242613) is N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide is CN1CC[C@H](NC(=O)c2ccoc2)[C@@H]1c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide?
The InChIKey is VWZROAWNMDUTLY-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c1-20-6-4-14(19-16(21)11-5-7-22-9-11)15(20)10-2-3-12(17)13(18)8-10/h2-3,5,7-9,14-15H,4,6H2,1H3,(H,19,21)/t14-,15-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide?
N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-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-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide is sourced from PubChem (CID 97242613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).