N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide

C15H18ClFN2O2 — CID 146131621

IUPACN-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(CNC(=O)C1CCC(=O)N1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H18ClFN2O2/c1-15(2,10-4-3-9(17)7-11(10)16)8-18-14(21)12-5-6-13(20)19-12/h3-4,7,12H,5-6,8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyVPQCGARILIVYHF-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.15
Rot. Bonds4

About N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide

N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 146131621) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID146131621
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(CNC(=O)C1CCC(=O)N1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H18ClFN2O2/c1-15(2,10-4-3-9(17)7-11(10)16)8-18-14(21)12-5-6-13(20)19-12/h3-4,7,12H,5-6,8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyVPQCGARILIVYHF-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Gsk-1482160
CID 23649427
(2S,3S)-2-amino-3-(4-chloro-2-fluorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]butan-1-one (22)
CID 9972202
N-(2-chloro-4-fluorobenzyl)-1-isopropyl-5-oxoprolinamide
CID 20968164
(2S,3S)-3-(4-chloro-2-fluorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895793
(2S,3S)-3-(4-chlorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895803
N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopentyl-5-oxoprolinamide
CID 49864819
N-[(2-chloro-4-fluorophenyl)methyl]-1-(1-methylethyl)-5-oxo-prolinamide
CID 49864875
N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-5-oxo-prolinamide
CID 49864877
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-oxoprolinamide
CID 49864911
(2S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-propylpyrrolidine-2-carboxamide
CID 49864912
(2S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 49864913
N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-(phenylmethyl)prolinamide
CID 49864914

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide (CID 146131621) is N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide is CC(C)(CNC(=O)C1CCC(=O)N1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is VPQCGARILIVYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c1-15(2,10-4-3-9(17)7-11(10)16)8-18-14(21)12-5-6-13(20)19-12/h3-4,7,12H,5-6,8H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 312.77 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 146131621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).