N-[(3R,5R)-5-(4-bromophenyl)-2-oxooxolan-3-yl]benzamide

C17H14BrNO3 — CID 102525271

IUPACN-[(3R,5R)-5-(4-bromophenyl)-2-oxooxolan-3-yl]benzamide
SMILESO=C(N[C@@H]1C[C@H](c2ccc(Br)cc2)OC1=O)c1ccccc1
InChIInChI=1S/C17H14BrNO3/c18-13-8-6-11(7-9-13)15-10-14(17(21)22-15)19-16(20)12-4-2-1-3-5-12/h1-9,14-15H,10H2,(H,19,20)/t14-,15-/m1/s1
InChIKeyLFIQEGCGTXCXNU-HUUCEWRRSA-N
MW360.21 g/mol
LogP3.24
Rot. Bonds3

About N-[(3R,5R)-5-(4-bromophenyl)-2-oxooxolan-3-yl]benzamide

N-[(3R,5R)-5-(4-bromophenyl)-2-oxooxolan-3-yl]benzamide (PubChem CID 102525271) has the molecular formula C17H14BrNO3 and a molecular weight of 360.21 g/mol. Its IUPAC name is N-[(3R,5R)-5-(4-bromophenyl)-2-oxooxolan-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3R,5R)-5-(4-bromophenyl)-2-oxooxolan-3-yl]benzamide
PubChem CID102525271
Molecular FormulaC17H14BrNO3
Molecular Weight360.21 g/mol
Exact Mass359.02
IUPAC NameN-[(3R,5R)-5-(4-bromophenyl)-2-oxooxolan-3-yl]benzamide
SMILESO=C(N[C@@H]1C[C@H](c2ccc(Br)cc2)OC1=O)c1ccccc1
InChIInChI=1S/C17H14BrNO3/c18-13-8-6-11(7-9-13)15-10-14(17(21)22-15)19-16(20)12-4-2-1-3-5-12/h1-9,14-15H,10H2,(H,19,20)/t14-,15-/m1/s1
InChIKeyLFIQEGCGTXCXNU-HUUCEWRRSA-N
XLogP3.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R,5R)-5-(4-bromophenyl)-2-oxooxolan-3-yl]benzamide 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

N-[(3S,5S)-2-oxo-5-phenyloxolan-3-yl]benzamide
CID 102525266
N-[5-(bromomethyl)-2-oxooxolan-3-yl]benzamide
CID 570114
N-[(3S,6R)-2-oxo-6-(trifluoromethyl)oxan-3-yl]benzamide
CID 9102312
(3R,5R)-5-(4-bromophenyl)-3-methyloxolan-2-one
CID 125494033
3-amino-5-(4-bromophenyl)oxolan-2-one
CID 82159789
3-oxo-N-[(3S)-2-oxo-5-phenyloxolan-3-yl]octanamide
CID 87959472
N-[(3R,4aR,10bS)-7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl]benzamide
CID 7831985
(3S)-3-hydroxy-5-phenyloxolan-2-one
CID 46197935
(2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol
CID 101086395
(3R,5R)-3-hydroxy-5-phenyloxolan-2-one
CID 11665488
N-(2-hydroxycyclopropyl)benzamide
CID 175468011
3-(methylamino)-5-(4-methylphenyl)oxolan-2-one
CID 23008775

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-5-(4-bromophenyl)-2-oxooxolan-3-yl]benzamide?
The IUPAC name of N-[(3R,5R)-5-(4-bromophenyl)-2-oxooxolan-3-yl]benzamide (CID 102525271) is N-[(3R,5R)-5-(4-bromophenyl)-2-oxooxolan-3-yl]benzamide.
What is the SMILES notation for N-[(3R,5R)-5-(4-bromophenyl)-2-oxooxolan-3-yl]benzamide?
The canonical SMILES for N-[(3R,5R)-5-(4-bromophenyl)-2-oxooxolan-3-yl]benzamide is O=C(N[C@@H]1C[C@H](c2ccc(Br)cc2)OC1=O)c1ccccc1.
What is the InChIKey of N-[(3R,5R)-5-(4-bromophenyl)-2-oxooxolan-3-yl]benzamide?
The InChIKey is LFIQEGCGTXCXNU-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H14BrNO3/c18-13-8-6-11(7-9-13)15-10-14(17(21)22-15)19-16(20)12-4-2-1-3-5-12/h1-9,14-15H,10H2,(H,19,20)/t14-,15-/m1/s1.
What are the key properties of N-[(3R,5R)-5-(4-bromophenyl)-2-oxooxolan-3-yl]benzamide?
N-[(3R,5R)-5-(4-bromophenyl)-2-oxooxolan-3-yl]benzamide has a molecular weight of 360.21 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-5-(4-bromophenyl)-2-oxooxolan-3-yl]benzamide is sourced from PubChem (CID 102525271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).