(2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide

C19H22FNO2 — CID 9181809

IUPAC(2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide
SMILESCC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C19H22FNO2/c1-4-17(23-18-12-8-6-10-15(18)20)19(22)21-16-11-7-5-9-14(16)13(2)3/h5-13,17H,4H2,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyKDVXDAUSTNOUIH-KRWDZBQOSA-N
MW315.39 g/mol
LogP4.75
Rot. Bonds6

About (2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide

(2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide (PubChem CID 9181809) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide
PubChem CID9181809
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name(2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide
SMILESCC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C19H22FNO2/c1-4-17(23-18-12-8-6-10-15(18)20)19(22)21-16-11-7-5-9-14(16)13(2)3/h5-13,17H,4H2,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyKDVXDAUSTNOUIH-KRWDZBQOSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)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-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 46763608
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(2-fluorophenoxy)butanoyl]amino]benzamide
CID 9173752
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261
(2R)-N-(4-acetamidophenyl)-2-(2-fluorophenoxy)butanamide
CID 9180312
N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 78843004
(2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 9173655
(2R)-N-(2,6-dimethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 40746709
N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenoxy)butanamide
CID 51064581
N-(4-ethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 53286461
(2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide
CID 40747464
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 41177788
2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide
CID 17150650

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide?
The IUPAC name of (2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide (CID 9181809) is (2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide.
What is the SMILES notation for (2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide?
The canonical SMILES for (2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide is CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of (2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide?
The InChIKey is KDVXDAUSTNOUIH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-4-17(23-18-12-8-6-10-15(18)20)19(22)21-16-11-7-5-9-14(16)13(2)3/h5-13,17H,4H2,1-3H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide?
(2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide has a molecular weight of 315.39 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 9181809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).