4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide

C16H13BrN2O3 — CID 50796749

IUPAC4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
SMILESCCn1c(=O)oc2cc(NC(=O)c3ccc(Br)cc3)ccc21
InChIInChI=1S/C16H13BrN2O3/c1-2-19-13-8-7-12(9-14(13)22-16(19)21)18-15(20)10-3-5-11(17)6-4-10/h3-9H,2H2,1H3,(H,18,20)
InChIKeyVCONVNJNNKADPY-UHFFFAOYSA-N
MW361.20 g/mol
LogP3.63
Rot. Bonds3

About 4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide

4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide (PubChem CID 50796749) has the molecular formula C16H13BrN2O3 and a molecular weight of 361.20 g/mol. Its IUPAC name is 4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
PubChem CID50796749
Molecular FormulaC16H13BrN2O3
Molecular Weight361.20 g/mol
Exact Mass360.01
IUPAC Name4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
SMILESCCn1c(=O)oc2cc(NC(=O)c3ccc(Br)cc3)ccc21
InChIInChI=1S/C16H13BrN2O3/c1-2-19-13-8-7-12(9-14(13)22-16(19)21)18-15(20)10-3-5-11(17)6-4-10/h3-9H,2H2,1H3,(H,18,20)
InChIKeyVCONVNJNNKADPY-UHFFFAOYSA-N
XLogP3.63
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-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

3-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzamide
CID 50796693
1-(4-bromo-2-fluorophenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796615
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea
CID 50796887
1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796856
4-ethyl-N-(2-oxo-3-propan-2-yl-1,3-benzoxazol-6-yl)benzamide
CID 50820635
methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate
CID 50796907
3-ethyl-6-(2-methylpropanoyl)-1,3-benzoxazol-2-one
CID 62298450
N-(4-bromophenyl)-1-ethyl-2-methyl-4-oxoquinoline-6-carboxamide
CID 39849595
3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 46346383
6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one
CID 82341277
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675719
3-ethyl-6-(2-propylpentanoyl)-1,3-benzoxazol-2-one
CID 82984978

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide?
The IUPAC name of 4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide (CID 50796749) is 4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide?
The canonical SMILES for 4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide is CCn1c(=O)oc2cc(NC(=O)c3ccc(Br)cc3)ccc21.
What is the InChIKey of 4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide?
The InChIKey is VCONVNJNNKADPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3/c1-2-19-13-8-7-12(9-14(13)22-16(19)21)18-15(20)10-3-5-11(17)6-4-10/h3-9H,2H2,1H3,(H,18,20).
What are the key properties of 4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide?
4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide has a molecular weight of 361.20 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide is sourced from PubChem (CID 50796749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).