(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide

C18H20FNO2 — CID 99131487

IUPAC(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-3-17(22-16-6-4-5-13(2)11-16)18(21)20-12-14-7-9-15(19)10-8-14/h4-11,17H,3,12H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyLFHJEWVTMBVKPM-KRWDZBQOSA-N
MW301.36 g/mol
LogP3.61
Rot. Bonds6

About (2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide

(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide (PubChem CID 99131487) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is (2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
PubChem CID99131487
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-3-17(22-16-6-4-5-13(2)11-16)18(21)20-12-14-7-9-15(19)10-8-14/h4-11,17H,3,12H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyLFHJEWVTMBVKPM-KRWDZBQOSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 43904963
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 46769433
N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 133162435
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
CID 99130903
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012275
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012273
(2S)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-methylphenoxy)butanamide
CID 92683728
(2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92674999
(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 92681450
(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 94019474
(2S)-N-[(4-fluorophenyl)methyl]-2-[[(1R)-2-[(3-methylphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]butanamide
CID 92985333
N-[(4-fluorophenyl)methyl]-3-[(3-methylphenyl)methyl-propan-2-ylamino]-2-phenoxypropanamide
CID 42865100

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide?
The IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide (CID 99131487) is (2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide?
The canonical SMILES for (2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide is CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of (2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide?
The InChIKey is LFHJEWVTMBVKPM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-3-17(22-16-6-4-5-13(2)11-16)18(21)20-12-14-7-9-15(19)10-8-14/h4-11,17H,3,12H2,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide?
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide has a molecular weight of 301.36 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide is sourced from PubChem (CID 99131487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).