4-fluoro-N-(3-phenyloxetan-3-yl)benzamide

C16H14FNO2 — CID 139015652

IUPAC4-fluoro-N-(3-phenyloxetan-3-yl)benzamide
SMILESO=C(NC1(c2ccccc2)COC1)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO2/c17-14-8-6-12(7-9-14)15(19)18-16(10-20-11-16)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,19)
InChIKeyOCKZNSBHOLQOQT-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.48
Rot. Bonds3

About 4-fluoro-N-(3-phenyloxetan-3-yl)benzamide

4-fluoro-N-(3-phenyloxetan-3-yl)benzamide (PubChem CID 139015652) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 4-fluoro-N-(3-phenyloxetan-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-phenyloxetan-3-yl)benzamide
PubChem CID139015652
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name4-fluoro-N-(3-phenyloxetan-3-yl)benzamide
SMILESO=C(NC1(c2ccccc2)COC1)c1ccc(F)cc1
InChIInChI=1S/C16H14FNO2/c17-14-8-6-12(7-9-14)15(19)18-16(10-20-11-16)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,19)
InChIKeyOCKZNSBHOLQOQT-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenyloxetan-3-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214182
N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide
CID 110445847
1-(difluoromethyl)-N-(3-phenyloxetan-3-yl)pyrazole-3-carboxamide
CID 138021749
N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685
N-(4-fluorophenyl)-3-phenyloxetane-3-carboxamide
CID 154632266
N-[1-(4-fluorophenyl)cyclobutyl]-4-(trifluoromethyl)benzamide
CID 110445857
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
5-chloro-N-(3-phenyloxetan-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 118425281
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
N-[3-(3-fluorophenyl)oxetan-3-yl]prop-2-enamide
CID 166418894
2-(dimethylamino)-4-methyl-N-(3-phenyloxetan-3-yl)-1,3-thiazole-5-carboxamide
CID 138021751
6-fluoro-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide
CID 144936006

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-phenyloxetan-3-yl)benzamide?
The IUPAC name of 4-fluoro-N-(3-phenyloxetan-3-yl)benzamide (CID 139015652) is 4-fluoro-N-(3-phenyloxetan-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-phenyloxetan-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(3-phenyloxetan-3-yl)benzamide is O=C(NC1(c2ccccc2)COC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(3-phenyloxetan-3-yl)benzamide?
The InChIKey is OCKZNSBHOLQOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-14-8-6-12(7-9-14)15(19)18-16(10-20-11-16)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,19).
What are the key properties of 4-fluoro-N-(3-phenyloxetan-3-yl)benzamide?
4-fluoro-N-(3-phenyloxetan-3-yl)benzamide has a molecular weight of 271.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-phenyloxetan-3-yl)benzamide is sourced from PubChem (CID 139015652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).