(2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide

C15H14ClFN2O2 — CID 51550987

IUPAC(2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@H]1c1ccco1
InChIInChI=1S/C15H14ClFN2O2/c16-11-9-10(5-6-12(11)17)18-15(20)19-7-1-3-13(19)14-4-2-8-21-14/h2,4-6,8-9,13H,1,3,7H2,(H,18,20)/t13-/m0/s1
InChIKeyVPIODPILEPWMIA-ZDUSSCGKSA-N
MW308.74 g/mol
LogP4.44
Rot. Bonds2

About (2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide

(2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 51550987) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
PubChem CID51550987
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name(2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@H]1c1ccco1
InChIInChI=1S/C15H14ClFN2O2/c16-11-9-10(5-6-12(11)17)18-15(20)19-7-1-3-13(19)14-4-2-8-21-14/h2,4-6,8-9,13H,1,3,7H2,(H,18,20)/t13-/m0/s1
InChIKeyVPIODPILEPWMIA-ZDUSSCGKSA-N
XLogP4.44
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3-chloro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550968
(2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51551012
N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895936
N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895993
N-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20896018
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079926
(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079928
(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51856550
(2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 99354971
(2-chloro-4,5-difluorophenyl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 20895629
N-(3-chloro-4-fluorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 4637876
5-[(2S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]pyrrolidin-2-yl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 95070885

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide (CID 51550987) is (2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)N1CCC[C@H]1c1ccco1.
What is the InChIKey of (2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is VPIODPILEPWMIA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-11-9-10(5-6-12(11)17)18-15(20)19-7-1-3-13(19)14-4-2-8-21-14/h2,4-6,8-9,13H,1,3,7H2,(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
(2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 308.74 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51550987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).