(3R)-N-(4-bromo-2-chloro-5-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide

C11H11BrClFN2O2 — CID 125141154

IUPAC(3R)-N-(4-bromo-2-chloro-5-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(F)c(Br)cc1Cl)N1CC[C@@H](O)C1
InChIInChI=1S/C11H11BrClFN2O2/c12-7-3-8(13)10(4-9(7)14)15-11(18)16-2-1-6(17)5-16/h3-4,6,17H,1-2,5H2,(H,15,18)/t6-/m1/s1
InChIKeyJUHKRACXZTVYCT-ZCFIWIBFSA-N
MW337.58 g/mol
LogP2.84
Rot. Bonds1

About (3R)-N-(4-bromo-2-chloro-5-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide

(3R)-N-(4-bromo-2-chloro-5-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 125141154) has the molecular formula C11H11BrClFN2O2 and a molecular weight of 337.58 g/mol. Its IUPAC name is (3R)-N-(4-bromo-2-chloro-5-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-bromo-2-chloro-5-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
PubChem CID125141154
Molecular FormulaC11H11BrClFN2O2
Molecular Weight337.58 g/mol
Exact Mass335.97
IUPAC Name(3R)-N-(4-bromo-2-chloro-5-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(F)c(Br)cc1Cl)N1CC[C@@H](O)C1
InChIInChI=1S/C11H11BrClFN2O2/c12-7-3-8(13)10(4-9(7)14)15-11(18)16-2-1-6(17)5-16/h3-4,6,17H,1-2,5H2,(H,15,18)/t6-/m1/s1
InChIKeyJUHKRACXZTVYCT-ZCFIWIBFSA-N
XLogP2.84
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.58
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-bromo-2-chloro-5-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(4-bromo-2-chloro-5-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide (CID 125141154) is (3R)-N-(4-bromo-2-chloro-5-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(4-bromo-2-chloro-5-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(4-bromo-2-chloro-5-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide is O=C(Nc1cc(F)c(Br)cc1Cl)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-N-(4-bromo-2-chloro-5-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is JUHKRACXZTVYCT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11BrClFN2O2/c12-7-3-8(13)10(4-9(7)14)15-11(18)16-2-1-6(17)5-16/h3-4,6,17H,1-2,5H2,(H,15,18)/t6-/m1/s1.
What are the key properties of (3R)-N-(4-bromo-2-chloro-5-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide?
(3R)-N-(4-bromo-2-chloro-5-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 337.58 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-bromo-2-chloro-5-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 125141154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).