2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide

C20H22FNO3 — CID 91785233

IUPAC2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
SMILESO=C(Cc1cccc(F)c1)N[C@@H]1COCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H22FNO3/c21-17-8-4-7-16(11-17)12-20(23)22-18-14-24-10-9-19(18)25-13-15-5-2-1-3-6-15/h1-8,11,18-19H,9-10,12-14H2,(H,22,23)/t18-,19+/m1/s1
InChIKeyBXFKFDXJUAROES-MOPGFXCFSA-N
MW343.40 g/mol
LogP2.86
Rot. Bonds6

About 2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide

2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide (PubChem CID 91785233) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
PubChem CID91785233
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
SMILESO=C(Cc1cccc(F)c1)N[C@@H]1COCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H22FNO3/c21-17-8-4-7-16(11-17)12-20(23)22-18-14-24-10-9-19(18)25-13-15-5-2-1-3-6-15/h1-8,11,18-19H,9-10,12-14H2,(H,22,23)/t18-,19+/m1/s1
InChIKeyBXFKFDXJUAROES-MOPGFXCFSA-N
XLogP2.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide 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-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
CID 91787465
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide
CID 91765784
2-[(3R,4S)-3-[(3-fluorophenyl)methylcarbamoylamino]oxan-4-yl]oxyacetic acid
CID 91772905
2-[methyl(propan-2-yl)amino]-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91760455
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide
CID 91830789
4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide
CID 91781998
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide
CID 91797210
2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide
CID 91780512
5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide
CID 91776631
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91771876
2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide
CID 91777487

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide (CID 91785233) is 2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide is O=C(Cc1cccc(F)c1)N[C@@H]1COCC[C@@H]1OCc1ccccc1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide?
The InChIKey is BXFKFDXJUAROES-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H22FNO3/c21-17-8-4-7-16(11-17)12-20(23)22-18-14-24-10-9-19(18)25-13-15-5-2-1-3-6-15/h1-8,11,18-19H,9-10,12-14H2,(H,22,23)/t18-,19+/m1/s1.
What are the key properties of 2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide?
2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide has a molecular weight of 343.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide is sourced from PubChem (CID 91785233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).