(2R)-N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C16H14ClFN2O2S — CID 28919443

IUPAC(2R)-N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C16H14ClFN2O2S/c17-11-9-10(5-6-12(11)18)19-15(21)13-3-1-7-20(13)16(22)14-4-2-8-23-14/h2,4-6,8-9,13H,1,3,7H2,(H,19,21)/t13-/m1/s1
InChIKeyRUTHDRAWDZPAKO-CYBMUJFWSA-N
MW352.82 g/mol
LogP3.78
Rot. Bonds3

About (2R)-N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2R)-N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 28919443) has the molecular formula C16H14ClFN2O2S and a molecular weight of 352.82 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID28919443
Molecular FormulaC16H14ClFN2O2S
Molecular Weight352.82 g/mol
Exact Mass352.04
IUPAC Name(2R)-N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C16H14ClFN2O2S/c17-11-9-10(5-6-12(11)18)19-15(21)13-3-1-7-20(13)16(22)14-4-2-8-23-14/h2,4-6,8-9,13H,1,3,7H2,(H,19,21)/t13-/m1/s1
InChIKeyRUTHDRAWDZPAKO-CYBMUJFWSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 42628060
5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-4-fluoro-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-YL)-phenylcarbamoyl]-methyl}-pyrrolidin-3-YL)-amide
CID 42628063
N-(3-chlorophenyl)thiophene-2-carboxamide
CID 531925
5-Chloro-N-[(3s,4s)-1-(2-{[2-Fluoro-4-(2-Oxopyridin-1(2h)-Yl)phenyl]amino}-2-Oxoethyl)-4-Methoxypyrrolidin-3-Yl]thiophene-2-Carboxamide
CID 11979007
(4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide
CID 42628062
N-[2-chloro-4-(2,5-dioxo-1-pyrrolidinyl)phenyl]-2-thiophenecarboxamide
CID 1136439
N-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 806954
N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide
CID 3703002
5-chloro-N-((3R,5S)-1-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenylamino)-2-oxoethyl)-5-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl)thiophene-2-carboxamide
CID 42643389
5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 45270763
5-chloro-N-[4-cyclopropyl-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 45271581
5-Methyl-thiophene-2-carboxylic acid cyclopentylcarbamoylmethyl-(3-fluoro-phenyl)-amide
CID 1433196

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 28919443) is (2R)-N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN1C(=O)c1cccs1.
What is the InChIKey of (2R)-N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is RUTHDRAWDZPAKO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14ClFN2O2S/c17-11-9-10(5-6-12(11)18)19-15(21)13-3-1-7-20(13)16(22)14-4-2-8-23-14/h2,4-6,8-9,13H,1,3,7H2,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2R)-N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 28919443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).