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

C18H25FN2O3 — CID 110021375

IUPAC1-(4-fluoro-3-methylphenyl)-N-(4-hydroxy-2-methylpentyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)NCC(C)CC(C)O)CC2=O)ccc1F
InChIInChI=1S/C18H25FN2O3/c1-11(6-13(3)22)9-20-18(24)14-8-17(23)21(10-14)15-4-5-16(19)12(2)7-15/h4-5,7,11,13-14,22H,6,8-10H2,1-3H3,(H,20,24)
InChIKeyLRXRYWVCAQYBRC-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.01
Rot. Bonds6

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

1-(4-fluoro-3-methylphenyl)-N-(4-hydroxy-2-methylpentyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 110021375) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-(4-hydroxy-2-methylpentyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-(4-hydroxy-2-methylpentyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID110021375
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-(4-hydroxy-2-methylpentyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)NCC(C)CC(C)O)CC2=O)ccc1F
InChIInChI=1S/C18H25FN2O3/c1-11(6-13(3)22)9-20-18(24)14-8-17(23)21(10-14)15-4-5-16(19)12(2)7-15/h4-5,7,11,13-14,22H,6,8-10H2,1-3H3,(H,20,24)
InChIKeyLRXRYWVCAQYBRC-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide
CID 110021602
2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 120513243
1-(4-fluoro-3-methylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 110021472
1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 110022001
1-(4-fluoro-3-methylphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 86785456
(3S)-1-(4-chlorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 774264
1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 3159237
4-[[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542007
1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 120653013
(3R)-N-[(2R)-2-hydroxypropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7034624
N-(3-amino-2-methylpropyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119996455
1-(3,4-dimethylphenyl)-N-(2-hydroxy-3-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 56765286

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-(4-hydroxy-2-methylpentyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-(4-hydroxy-2-methylpentyl)-5-oxopyrrolidine-3-carboxamide (CID 110021375) is 1-(4-fluoro-3-methylphenyl)-N-(4-hydroxy-2-methylpentyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-(4-hydroxy-2-methylpentyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-(4-hydroxy-2-methylpentyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(N2CC(C(=O)NCC(C)CC(C)O)CC2=O)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-(4-hydroxy-2-methylpentyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LRXRYWVCAQYBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-11(6-13(3)22)9-20-18(24)14-8-17(23)21(10-14)15-4-5-16(19)12(2)7-15/h4-5,7,11,13-14,22H,6,8-10H2,1-3H3,(H,20,24).
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-(4-hydroxy-2-methylpentyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-fluoro-3-methylphenyl)-N-(4-hydroxy-2-methylpentyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 2.01, 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-(4-hydroxy-2-methylpentyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110021375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).