2,3-difluoro-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzamide

C19H19F2NO3 — CID 91786706

IUPAC2,3-difluoro-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzamide
SMILESO=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1cccc(F)c1F
InChIInChI=1S/C19H19F2NO3/c20-15-8-4-7-14(18(15)21)19(23)22-16-12-24-10-9-17(16)25-11-13-5-2-1-3-6-13/h1-8,16-17H,9-12H2,(H,22,23)/t16-,17+/m1/s1
InChIKeyUGTZXNWMXTVJJT-SJORKVTESA-N
MW347.36 g/mol
LogP3.07
Rot. Bonds5

About 2,3-difluoro-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzamide

2,3-difluoro-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzamide (PubChem CID 91786706) has the molecular formula C19H19F2NO3 and a molecular weight of 347.36 g/mol. Its IUPAC name is 2,3-difluoro-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzamide
PubChem CID91786706
Molecular FormulaC19H19F2NO3
Molecular Weight347.36 g/mol
Exact Mass347.13
IUPAC Name2,3-difluoro-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzamide
SMILESO=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1cccc(F)c1F
InChIInChI=1S/C19H19F2NO3/c20-15-8-4-7-14(18(15)21)19(23)22-16-12-24-10-9-17(16)25-11-13-5-2-1-3-6-13/h1-8,16-17H,9-12H2,(H,22,23)/t16-,17+/m1/s1
InChIKeyUGTZXNWMXTVJJT-SJORKVTESA-N
XLogP3.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzamide?
The IUPAC name of 2,3-difluoro-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzamide (CID 91786706) is 2,3-difluoro-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzamide is O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzamide?
The InChIKey is UGTZXNWMXTVJJT-SJORKVTESA-N. The full InChI is InChI=1S/C19H19F2NO3/c20-15-8-4-7-14(18(15)21)19(23)22-16-12-24-10-9-17(16)25-11-13-5-2-1-3-6-13/h1-8,16-17H,9-12H2,(H,22,23)/t16-,17+/m1/s1.
What are the key properties of 2,3-difluoro-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzamide?
2,3-difluoro-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzamide has a molecular weight of 347.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzamide is sourced from PubChem (CID 91786706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).