(2S,4S)-N-(3-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide

C11H12ClFN2O2 — CID 28945169

IUPAC(2S,4S)-N-(3-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C11H12ClFN2O2/c12-8-3-6(1-2-9(8)13)15-11(17)10-4-7(16)5-14-10/h1-3,7,10,14,16H,4-5H2,(H,15,17)/t7-,10-/m0/s1
InChIKeyIXHDNEVLGJIJFQ-XVKPBYJWSA-N
MW258.68 g/mol
LogP1.14
Rot. Bonds2

About (2S,4S)-N-(3-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide

(2S,4S)-N-(3-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 28945169) has the molecular formula C11H12ClFN2O2 and a molecular weight of 258.68 g/mol. Its IUPAC name is (2S,4S)-N-(3-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(3-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID28945169
Molecular FormulaC11H12ClFN2O2
Molecular Weight258.68 g/mol
Exact Mass258.06
IUPAC Name(2S,4S)-N-(3-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C11H12ClFN2O2/c12-8-3-6(1-2-9(8)13)15-11(17)10-4-7(16)5-14-10/h1-3,7,10,14,16H,4-5H2,(H,15,17)/t7-,10-/m0/s1
InChIKeyIXHDNEVLGJIJFQ-XVKPBYJWSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(3-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-(3-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide (CID 28945169) is (2S,4S)-N-(3-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-(3-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-(3-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1C[C@H](O)CN1.
What is the InChIKey of (2S,4S)-N-(3-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is IXHDNEVLGJIJFQ-XVKPBYJWSA-N. The full InChI is InChI=1S/C11H12ClFN2O2/c12-8-3-6(1-2-9(8)13)15-11(17)10-4-7(16)5-14-10/h1-3,7,10,14,16H,4-5H2,(H,15,17)/t7-,10-/m0/s1.
What are the key properties of (2S,4S)-N-(3-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide?
(2S,4S)-N-(3-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 (2S,4S)-N-(3-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 28945169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).