N-(4-bromophenyl)-5-oxo-2-phenyloxolane-3-carboxamide

C17H14BrNO3 — CID 2827348

IUPACN-(4-bromophenyl)-5-oxo-2-phenyloxolane-3-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(Br)cc2)C(c2ccccc2)O1
InChIInChI=1S/C17H14BrNO3/c18-12-6-8-13(9-7-12)19-17(21)14-10-15(20)22-16(14)11-4-2-1-3-5-11/h1-9,14,16H,10H2,(H,19,21)
InChIKeyGQWOPQBIJRTVJL-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.69
Rot. Bonds3

About N-(4-bromophenyl)-5-oxo-2-phenyloxolane-3-carboxamide

N-(4-bromophenyl)-5-oxo-2-phenyloxolane-3-carboxamide (PubChem CID 2827348) has the molecular formula C17H14BrNO3 and a molecular weight of 360.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-oxo-2-phenyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-oxo-2-phenyloxolane-3-carboxamide
PubChem CID2827348
Molecular FormulaC17H14BrNO3
Molecular Weight360.21 g/mol
Exact Mass359.02
IUPAC NameN-(4-bromophenyl)-5-oxo-2-phenyloxolane-3-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc(Br)cc2)C(c2ccccc2)O1
InChIInChI=1S/C17H14BrNO3/c18-12-6-8-13(9-7-12)19-17(21)14-10-15(20)22-16(14)11-4-2-1-3-5-11/h1-9,14,16H,10H2,(H,19,21)
InChIKeyGQWOPQBIJRTVJL-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2R,3R)-5-oxo-2-phenyloxolane-3-carbonyl]amino]benzoic acid
CID 845236
(2S,3S)-N-(4-chlorophenyl)-5-oxo-2-phenyloxolane-3-carboxamide
CID 7301249
(2R,3S)-N-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide
CID 975811
3-[[(2S,3R)-5-oxo-2-phenyloxolane-3-carbonyl]amino]benzoate
CID 6957873
(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid
CID 825874
4-(4-bromophenyl)-5-phenyloxolan-2-one
CID 144706057
(2R,3R)-2-(3-bromophenyl)-5-oxooxolane-3-carboxylic acid
CID 97034636
2-N-benzyl-1-N-(4-bromophenyl)cyclopropane-1,2-dicarboxamide
CID 109135067
N-(4-bromophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 5111632
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide
CID 46949162
(1R,2R,5R,6S)-6-[(4-bromophenyl)carbamoyl]-2,5-diphenylcyclohex-3-ene-1-carboxylic acid
CID 124780827
ethyl (2R,3S)-5-oxo-2-phenyloxolane-3-carboxylate
CID 14399422

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-oxo-2-phenyloxolane-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-oxo-2-phenyloxolane-3-carboxamide (CID 2827348) is N-(4-bromophenyl)-5-oxo-2-phenyloxolane-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-oxo-2-phenyloxolane-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-oxo-2-phenyloxolane-3-carboxamide is O=C1CC(C(=O)Nc2ccc(Br)cc2)C(c2ccccc2)O1.
What is the InChIKey of N-(4-bromophenyl)-5-oxo-2-phenyloxolane-3-carboxamide?
The InChIKey is GQWOPQBIJRTVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO3/c18-12-6-8-13(9-7-12)19-17(21)14-10-15(20)22-16(14)11-4-2-1-3-5-11/h1-9,14,16H,10H2,(H,19,21).
What are the key properties of N-(4-bromophenyl)-5-oxo-2-phenyloxolane-3-carboxamide?
N-(4-bromophenyl)-5-oxo-2-phenyloxolane-3-carboxamide has a molecular weight of 360.21 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-oxo-2-phenyloxolane-3-carboxamide is sourced from PubChem (CID 2827348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).