2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide

C20H12BrClN2O2 — CID 1322845

IUPAC2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccccc1Br
InChIInChI=1S/C20H12BrClN2O2/c21-15-7-3-1-5-13(15)19(25)23-12-9-10-18-17(11-12)24-20(26-18)14-6-2-4-8-16(14)22/h1-11H,(H,23,25)
InChIKeyUSNSAJRRYTYAOF-UHFFFAOYSA-N
MW427.69 g/mol
LogP6.16
Rot. Bonds3

About 2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide

2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 1322845) has the molecular formula C20H12BrClN2O2 and a molecular weight of 427.69 g/mol. Its IUPAC name is 2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID1322845
Molecular FormulaC20H12BrClN2O2
Molecular Weight427.69 g/mol
Exact Mass425.98
IUPAC Name2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccccc1Br
InChIInChI=1S/C20H12BrClN2O2/c21-15-7-3-1-5-13(15)19(25)23-12-9-10-18-17(11-12)24-20(26-18)14-6-2-4-8-16(14)22/h1-11H,(H,23,25)
InChIKeyUSNSAJRRYTYAOF-UHFFFAOYSA-N
XLogP6.16
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.69
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126393
2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545
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]-3,4-dichlorobenzamide
CID 3998301
5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 3238969
3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide
CID 155511738
5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23821250
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide
CID 23731964
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
CID 709591
2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2244594
5-(4-chlorophenyl)-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124271
5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 1108422

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide (CID 1322845) is 2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide is O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is USNSAJRRYTYAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrClN2O2/c21-15-7-3-1-5-13(15)19(25)23-12-9-10-18-17(11-12)24-20(26-18)14-6-2-4-8-16(14)22/h1-11H,(H,23,25).
What are the key properties of 2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 427.69 g/mol, XLogP of 6.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 1322845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).