1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide

C17H23FN2O3 — CID 110021602

IUPAC1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCC(O)CNC(=O)C1CC(=O)N(c2ccc(F)c(C)c2)C1
InChIInChI=1S/C17H23FN2O3/c1-3-4-14(21)9-19-17(23)12-8-16(22)20(10-12)13-5-6-15(18)11(2)7-13/h5-7,12,14,21H,3-4,8-10H2,1-2H3,(H,19,23)
InChIKeyCNEFYJBFQOKCTA-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.76
Rot. Bonds6

About 1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide

1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 110021602) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID110021602
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCC(O)CNC(=O)C1CC(=O)N(c2ccc(F)c(C)c2)C1
InChIInChI=1S/C17H23FN2O3/c1-3-4-14(21)9-19-17(23)12-8-16(22)20(10-12)13-5-6-15(18)11(2)7-13/h5-7,12,14,21H,3-4,8-10H2,1-2H3,(H,19,23)
InChIKeyCNEFYJBFQOKCTA-UHFFFAOYSA-N
XLogP1.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-(4-hydroxy-2-methylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 110021375
1-(4-fluoro-3-methylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 110021472
1-(3,4-dimethylphenyl)-N-(2-hydroxy-3-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 56765286
2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 120513243
1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 110022001
4-[[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542007
(3S)-1-(3,4-dimethylphenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 97040678
1-(3,4-dimethylphenyl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 90624944
1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 120653013
1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 86785456
(3R)-1-(4-bromo-3-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838720
(3S)-1-(4-chlorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 774264

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide (CID 110021602) is 1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide is CCCC(O)CNC(=O)C1CC(=O)N(c2ccc(F)c(C)c2)C1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CNEFYJBFQOKCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-3-4-14(21)9-19-17(23)12-8-16(22)20(10-12)13-5-6-15(18)11(2)7-13/h5-7,12,14,21H,3-4,8-10H2,1-2H3,(H,19,23).
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110021602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).