N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide

C15H20ClFN2O2 — CID 119786052

IUPACN-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)(CNC(=O)C1CC(O)CN1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H20ClFN2O2/c1-15(2,11-4-3-9(17)5-12(11)16)8-19-14(21)13-6-10(20)7-18-13/h3-5,10,13,18,20H,6-8H2,1-2H3,(H,19,21)
InChIKeyHIVNWZQBIMYEPP-UHFFFAOYSA-N
MW314.79 g/mol
LogP1.60
Rot. Bonds4

About N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide

N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 119786052) has the molecular formula C15H20ClFN2O2 and a molecular weight of 314.79 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID119786052
Molecular FormulaC15H20ClFN2O2
Molecular Weight314.79 g/mol
Exact Mass314.12
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)(CNC(=O)C1CC(O)CN1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H20ClFN2O2/c1-15(2,11-4-3-9(17)5-12(11)16)8-19-14(21)13-6-10(20)7-18-13/h3-5,10,13,18,20H,6-8H2,1-2H3,(H,19,21)
InChIKeyHIVNWZQBIMYEPP-UHFFFAOYSA-N
XLogP1.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119325005
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
CID 146131621
N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43150554
3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119786045
1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)urea
CID 111122934
4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119756992
N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119812067
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119786059
N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43566272
(2R,4R)-N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587754
2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide
CID 119325016
2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119786039

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide (CID 119786052) is N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide is CC(C)(CNC(=O)C1CC(O)CN1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is HIVNWZQBIMYEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O2/c1-15(2,11-4-3-9(17)5-12(11)16)8-19-14(21)13-6-10(20)7-18-13/h3-5,10,13,18,20H,6-8H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 314.79 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 119786052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).