(3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]oxolane-3-carboxamide

C19H20FNO3 — CID 95146364

IUPAC(3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]oxolane-3-carboxamide
SMILESO=C(NCc1ccc(OCc2cccc(F)c2)cc1)[C@H]1CCOC1
InChIInChI=1S/C19H20FNO3/c20-17-3-1-2-15(10-17)12-24-18-6-4-14(5-7-18)11-21-19(22)16-8-9-23-13-16/h1-7,10,16H,8-9,11-13H2,(H,21,22)/t16-/m0/s1
InChIKeyKOTYPDXLMVTWRX-INIZCTEOSA-N
MW329.37 g/mol
LogP3.06
Rot. Bonds6

About (3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]oxolane-3-carboxamide

(3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]oxolane-3-carboxamide (PubChem CID 95146364) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is (3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]oxolane-3-carboxamide
PubChem CID95146364
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]oxolane-3-carboxamide
SMILESO=C(NCc1ccc(OCc2cccc(F)c2)cc1)[C@H]1CCOC1
InChIInChI=1S/C19H20FNO3/c20-17-3-1-2-15(10-17)12-24-18-6-4-14(5-7-18)11-21-19(22)16-8-9-23-13-16/h1-7,10,16H,8-9,11-13H2,(H,21,22)/t16-/m0/s1
InChIKeyKOTYPDXLMVTWRX-INIZCTEOSA-N
XLogP3.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620915
(2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 152504880
N-[(4-hydroxyphenyl)methyl]oxolane-3-carboxamide
CID 115595322
(2R,3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922648
N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide
CID 74236468
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
(3R)-N-[[4-[(4-fluorophenyl)methylamino]phenyl]methyl]oxolane-3-carboxamide
CID 170159066
2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 46222705
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide;hydrochloride
CID 119712202
4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide
CID 119283185
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]oxolane-3-carboxamide
CID 71918324
1-cyclopropyl-3-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110933864

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]oxolane-3-carboxamide (CID 95146364) is (3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]oxolane-3-carboxamide is O=C(NCc1ccc(OCc2cccc(F)c2)cc1)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]oxolane-3-carboxamide?
The InChIKey is KOTYPDXLMVTWRX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-17-3-1-2-15(10-17)12-24-18-6-4-14(5-7-18)11-21-19(22)16-8-9-23-13-16/h1-7,10,16H,8-9,11-13H2,(H,21,22)/t16-/m0/s1.
What are the key properties of (3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]oxolane-3-carboxamide?
(3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]oxolane-3-carboxamide has a molecular weight of 329.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 95146364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).