4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide

C19H22FNO2 — CID 111477260

IUPAC4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide
SMILESCC(CCc1cccc(F)c1)C(=O)NCc1ccccc1CO
InChIInChI=1S/C19H22FNO2/c1-14(9-10-15-5-4-8-18(20)11-15)19(23)21-12-16-6-2-3-7-17(16)13-22/h2-8,11,14,22H,9-10,12-13H2,1H3,(H,21,23)
InChIKeyWIFKUNQTECBAFK-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.20
Rot. Bonds7

About 4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide

4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide (PubChem CID 111477260) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide
PubChem CID111477260
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide
SMILESCC(CCc1cccc(F)c1)C(=O)NCc1ccccc1CO
InChIInChI=1S/C19H22FNO2/c1-14(9-10-15-5-4-8-18(20)11-15)19(23)21-12-16-6-2-3-7-17(16)13-22/h2-8,11,14,22H,9-10,12-13H2,1H3,(H,21,23)
InChIKeyWIFKUNQTECBAFK-UHFFFAOYSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[4-(3-fluorophenyl)-2-methylbutanoyl]amino]methyl]benzoic acid
CID 119165629
4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
CID 111542772
(2R)-4-(3-fluorophenyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 96559898
N-(3-aminopropyl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119405222
N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-2-methylbutanamide
CID 120652249
2-[[[4-(3-fluorophenyl)-2-methylbutanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245359
(2S)-2-[[4-(3-fluorophenyl)-2-methylbutanoyl]amino]-3-phenylpropanoic acid
CID 119366770
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
1-[2-(3,5-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924408
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
(2S)-4-(3-fluorophenyl)-N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]-2-methylbutanamide
CID 124848839
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide?
The IUPAC name of 4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide (CID 111477260) is 4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide is CC(CCc1cccc(F)c1)C(=O)NCc1ccccc1CO.
What is the InChIKey of 4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide?
The InChIKey is WIFKUNQTECBAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-14(9-10-15-5-4-8-18(20)11-15)19(23)21-12-16-6-2-3-7-17(16)13-22/h2-8,11,14,22H,9-10,12-13H2,1H3,(H,21,23).
What are the key properties of 4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide?
4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide has a molecular weight of 315.39 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide is sourced from PubChem (CID 111477260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).