N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide

C11H12ClFN2O2 — CID 43150554

IUPACN-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)C1CC(O)CN1
InChIInChI=1S/C11H12ClFN2O2/c12-8-3-6(13)1-2-9(8)15-11(17)10-4-7(16)5-14-10/h1-3,7,10,14,16H,4-5H2,(H,15,17)
InChIKeyDJITWNDVCUUAST-UHFFFAOYSA-N
MW258.68 g/mol
LogP1.14
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide

N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 43150554) has the molecular formula C11H12ClFN2O2 and a molecular weight of 258.68 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID43150554
Molecular FormulaC11H12ClFN2O2
Molecular Weight258.68 g/mol
Exact Mass258.06
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)C1CC(O)CN1
InChIInChI=1S/C11H12ClFN2O2/c12-8-3-6(13)1-2-9(8)15-11(17)10-4-7(16)5-14-10/h1-3,7,10,14,16H,4-5H2,(H,15,17)
InChIKeyDJITWNDVCUUAST-UHFFFAOYSA-N
XLogP1.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamido-3-chlorophenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119700281
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43120795
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119786052
N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120810
N-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119671777
N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 55228625
N-(2,5-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120806
(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 29080451
methyl 4-fluoro-3-[(4-hydroxypyrrolidine-2-carbonyl)amino]benzoate
CID 43703157
4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 102695323
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119713267
propan-2-yl 4-chloro-3-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]benzoate;hydrochloride
CID 154890569

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide (CID 43150554) is N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide is O=C(Nc1ccc(F)cc1Cl)C1CC(O)CN1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is DJITWNDVCUUAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O2/c12-8-3-6(13)1-2-9(8)15-11(17)10-4-7(16)5-14-10/h1-3,7,10,14,16H,4-5H2,(H,15,17).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide?
N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 258.68 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 43150554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).