3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide

C17H18FNO2 — CID 63311405

IUPAC3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCc1cccc(CO)c1
InChIInChI=1S/C17H18FNO2/c18-16-7-4-13(5-8-16)6-9-17(21)19-11-14-2-1-3-15(10-14)12-20/h1-5,7-8,10,20H,6,9,11-12H2,(H,19,21)
InChIKeyIDQYEWRPYBQISB-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.57
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide

3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide (PubChem CID 63311405) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
PubChem CID63311405
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1ccc(F)cc1)NCc1cccc(CO)c1
InChIInChI=1S/C17H18FNO2/c18-16-7-4-13(5-8-16)6-9-17(21)19-11-14-2-1-3-15(10-14)12-20/h1-5,7-8,10,20H,6,9,11-12H2,(H,19,21)
InChIKeyIDQYEWRPYBQISB-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 107210228
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844
N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
CID 110781032
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
4-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]butanamide
CID 107216596
5-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pentanamide
CID 107910785
4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide
CID 51195875
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107216595
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 110297766

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide (CID 63311405) is 3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide is O=C(CCc1ccc(F)cc1)NCc1cccc(CO)c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide?
The InChIKey is IDQYEWRPYBQISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c18-16-7-4-13(5-8-16)6-9-17(21)19-11-14-2-1-3-15(10-14)12-20/h1-5,7-8,10,20H,6,9,11-12H2,(H,19,21).
What are the key properties of 3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide?
3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide has a molecular weight of 287.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 63311405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).