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

C19H22FNO2 — CID 111542772

IUPAC4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
SMILESCC(CC(=O)NCc1ccccc1CO)Cc1cccc(F)c1
InChIInChI=1S/C19H22FNO2/c1-14(9-15-5-4-8-18(20)11-15)10-19(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)
InChIKeyLTOKLNFTUNWYNR-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.20
Rot. Bonds7

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

4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide (PubChem CID 111542772) 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]-3-methylbutanamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
PubChem CID111542772
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
SMILESCC(CC(=O)NCc1ccccc1CO)Cc1cccc(F)c1
InChIInChI=1S/C19H22FNO2/c1-14(9-15-5-4-8-18(20)11-15)10-19(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)
InChIKeyLTOKLNFTUNWYNR-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

2-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]acetic acid
CID 119350465
4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylbutanamide
CID 111477260
N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119499131
N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119997569
N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119408534
3-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]butanoic acid
CID 119347966
4-(3-fluorophenyl)-N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]-3-methylbutanamide
CID 126808780
(3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 95903648
N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119524696
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119608606
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide
CID 119464064

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide?
The IUPAC name of 4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide (CID 111542772) is 4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide is CC(CC(=O)NCc1ccccc1CO)Cc1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide?
The InChIKey is LTOKLNFTUNWYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-14(9-15-5-4-8-18(20)11-15)10-19(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]-3-methylbutanamide?
4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-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]-3-methylbutanamide is sourced from PubChem (CID 111542772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).