3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide

C20H11Br2ClN2O2 — CID 155511738

IUPAC3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C20H11Br2ClN2O2/c21-14-4-2-1-3-13(14)20-25-17-10-12(6-8-18(17)27-20)24-19(26)11-5-7-16(23)15(22)9-11/h1-10H,(H,24,26)
InChIKeyQDJSEVXQTGHWLE-UHFFFAOYSA-N
MW506.58 g/mol
LogP6.93
Rot. Bonds3

About 3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide

3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide (PubChem CID 155511738) has the molecular formula C20H11Br2ClN2O2 and a molecular weight of 506.58 g/mol. Its IUPAC name is 3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide
PubChem CID155511738
Molecular FormulaC20H11Br2ClN2O2
Molecular Weight506.58 g/mol
Exact Mass503.89
IUPAC Name3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C20H11Br2ClN2O2/c21-14-4-2-1-3-13(14)20-25-17-10-12(6-8-18(17)27-20)24-19(26)11-5-7-16(23)15(22)9-11/h1-10H,(H,24,26)
InChIKeyQDJSEVXQTGHWLE-UHFFFAOYSA-N
XLogP6.93
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.58
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide 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-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide
CID 3998301
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide
CID 23731964
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-methylbenzamide
CID 1048657
3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3952497
2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1322845
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,5-dichloro-2-methoxybenzamide
CID 17117177
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 2274949
3-bromo-N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
CID 3117294
5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 3238969
3,4-dichloro-N-[4-[5-[(3,4-dichlorobenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]benzamide
CID 53356242
2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126393
3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide
CID 3556146

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide?
The IUPAC name of 3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide (CID 155511738) is 3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide.
What is the SMILES notation for 3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide?
The canonical SMILES for 3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide is O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide?
The InChIKey is QDJSEVXQTGHWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Br2ClN2O2/c21-14-4-2-1-3-13(14)20-25-17-10-12(6-8-18(17)27-20)24-19(26)11-5-7-16(23)15(22)9-11/h1-10H,(H,24,26).
What are the key properties of 3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide?
3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide has a molecular weight of 506.58 g/mol, XLogP of 6.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide is sourced from PubChem (CID 155511738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).