4-fluoro-2-(hydroxymethyl)-N-(4-hydroxy-1-phenylbutyl)pyrrolidine-1-carboxamide

C16H23FN2O3 — CID 154743413

IUPAC4-fluoro-2-(hydroxymethyl)-N-(4-hydroxy-1-phenylbutyl)pyrrolidine-1-carboxamide
SMILESO=C(NC(CCCO)c1ccccc1)N1CC(F)CC1CO
InChIInChI=1S/C16H23FN2O3/c17-13-9-14(11-21)19(10-13)16(22)18-15(7-4-8-20)12-5-2-1-3-6-12/h1-3,5-6,13-15,20-21H,4,7-11H2,(H,18,22)
InChIKeyVMOKSEFJOUDAID-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.61
Rot. Bonds6

About 4-fluoro-2-(hydroxymethyl)-N-(4-hydroxy-1-phenylbutyl)pyrrolidine-1-carboxamide

4-fluoro-2-(hydroxymethyl)-N-(4-hydroxy-1-phenylbutyl)pyrrolidine-1-carboxamide (PubChem CID 154743413) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 4-fluoro-2-(hydroxymethyl)-N-(4-hydroxy-1-phenylbutyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-2-(hydroxymethyl)-N-(4-hydroxy-1-phenylbutyl)pyrrolidine-1-carboxamide
PubChem CID154743413
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name4-fluoro-2-(hydroxymethyl)-N-(4-hydroxy-1-phenylbutyl)pyrrolidine-1-carboxamide
SMILESO=C(NC(CCCO)c1ccccc1)N1CC(F)CC1CO
InChIInChI=1S/C16H23FN2O3/c17-13-9-14(11-21)19(10-13)16(22)18-15(7-4-8-20)12-5-2-1-3-6-12/h1-3,5-6,13-15,20-21H,4,7-11H2,(H,18,22)
InChIKeyVMOKSEFJOUDAID-UHFFFAOYSA-N
XLogP1.61
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide
CID 97215879
N-(4-hydroxy-1-phenylbutyl)-4-methyl-2-pyridin-3-ylpyrrolidine-1-carboxamide
CID 146081354
1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea
CID 111456098
N-(4-hydroxy-1-phenylbutyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 111456100
3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide
CID 111456099
(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 14641518
1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea
CID 111506861
4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122003330
3-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 115965790
1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452920
1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea
CID 111453794
1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea
CID 111453791

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(hydroxymethyl)-N-(4-hydroxy-1-phenylbutyl)pyrrolidine-1-carboxamide?
The IUPAC name of 4-fluoro-2-(hydroxymethyl)-N-(4-hydroxy-1-phenylbutyl)pyrrolidine-1-carboxamide (CID 154743413) is 4-fluoro-2-(hydroxymethyl)-N-(4-hydroxy-1-phenylbutyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 4-fluoro-2-(hydroxymethyl)-N-(4-hydroxy-1-phenylbutyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 4-fluoro-2-(hydroxymethyl)-N-(4-hydroxy-1-phenylbutyl)pyrrolidine-1-carboxamide is O=C(NC(CCCO)c1ccccc1)N1CC(F)CC1CO.
What is the InChIKey of 4-fluoro-2-(hydroxymethyl)-N-(4-hydroxy-1-phenylbutyl)pyrrolidine-1-carboxamide?
The InChIKey is VMOKSEFJOUDAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c17-13-9-14(11-21)19(10-13)16(22)18-15(7-4-8-20)12-5-2-1-3-6-12/h1-3,5-6,13-15,20-21H,4,7-11H2,(H,18,22).
What are the key properties of 4-fluoro-2-(hydroxymethyl)-N-(4-hydroxy-1-phenylbutyl)pyrrolidine-1-carboxamide?
4-fluoro-2-(hydroxymethyl)-N-(4-hydroxy-1-phenylbutyl)pyrrolidine-1-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(hydroxymethyl)-N-(4-hydroxy-1-phenylbutyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 154743413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).