3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

C14H8BrClN2O3 — CID 110607962

IUPAC3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H8BrClN2O3/c15-9-5-7(1-3-10(9)16)13(19)17-8-2-4-12-11(6-8)18-14(20)21-12/h1-6H,(H,17,19)(H,18,20)
InChIKeyYLOQYWJRFGFGMU-UHFFFAOYSA-N
MW367.59 g/mol
LogP3.79
Rot. Bonds2

About 3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (PubChem CID 110607962) has the molecular formula C14H8BrClN2O3 and a molecular weight of 367.59 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
PubChem CID110607962
Molecular FormulaC14H8BrClN2O3
Molecular Weight367.59 g/mol
Exact Mass365.94
IUPAC Name3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESO=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H8BrClN2O3/c15-9-5-7(1-3-10(9)16)13(19)17-8-2-4-12-11(6-8)18-14(20)21-12/h1-6H,(H,17,19)(H,18,20)
InChIKeyYLOQYWJRFGFGMU-UHFFFAOYSA-N
XLogP3.79
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.59
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(dimethylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37096181
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466944
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide
CID 50797084
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019844
1-oxido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridin-1-ium-4-carboxamide
CID 38466723
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide
CID 38467191
2-bromo-5-fluoro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 60731828
4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 166382068
3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37095710

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (CID 110607962) is 3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is YLOQYWJRFGFGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O3/c15-9-5-7(1-3-10(9)16)13(19)17-8-2-4-12-11(6-8)18-14(20)21-12/h1-6H,(H,17,19)(H,18,20).
What are the key properties of 3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 367.59 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 110607962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).