N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide

C16H16F2N2OS — CID 75394866

IUPACN-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCN1CCC(NC(=O)c2cccs2)C1c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2OS/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)
InChIKeyZMAJSFQNAMKGBN-UHFFFAOYSA-N
MW322.38 g/mol
LogP3.20
Rot. Bonds3

About N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide

N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 75394866) has the molecular formula C16H16F2N2OS and a molecular weight of 322.38 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID75394866
Molecular FormulaC16H16F2N2OS
Molecular Weight322.38 g/mol
Exact Mass322.10
IUPAC NameN-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCN1CCC(NC(=O)c2cccs2)C1c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2OS/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)
InChIKeyZMAJSFQNAMKGBN-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 129378843
N-[(2S,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 99850796
(2R)-N-[(2S,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-propan-2-ylsulfonylpropanamide
CID 124840939
2-cyclopropyl-N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyridine-4-carboxamide
CID 127904280
N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide
CID 129378868
N-[(2R,3S)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 97244416
1-[[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123325
2-[[(2S,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 124880470
N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-2-carboxamide
CID 124778983
methyl 6-[[(2R,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]pyridazine-3-carboxylate
CID 100693245
N-[(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide
CID 97242613
N-[(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]furan-3-carboxamide
CID 124778682

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide (CID 75394866) is N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide is CN1CCC(NC(=O)c2cccs2)C1c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is ZMAJSFQNAMKGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2OS/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).
What are the key properties of N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide?
N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 75394866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).