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

C20H10BrCl3N2O2 — CID 23821250

IUPAC5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C20H10BrCl3N2O2/c21-10-1-4-15(23)13(7-10)19(27)25-12-3-6-18-17(9-12)26-20(28-18)14-8-11(22)2-5-16(14)24/h1-9H,(H,25,27)
InChIKeyYEMWVZWTDDTDIF-UHFFFAOYSA-N
MW496.58 g/mol
LogP7.47
Rot. Bonds3

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

5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 23821250) has the molecular formula C20H10BrCl3N2O2 and a molecular weight of 496.58 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID23821250
Molecular FormulaC20H10BrCl3N2O2
Molecular Weight496.58 g/mol
Exact Mass493.90
IUPAC Name5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C20H10BrCl3N2O2/c21-10-1-4-15(23)13(7-10)19(27)25-12-3-6-18-17(9-12)26-20(28-18)14-8-11(22)2-5-16(14)24/h1-9H,(H,25,27)
InChIKeyYEMWVZWTDDTDIF-UHFFFAOYSA-N
XLogP7.47
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.58
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 23967983
2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545
2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095801
5-bromo-2-chloro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 1108422
2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095805
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 43914121
2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
CID 23739200
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
CID 7537272
5-bromo-2-chloro-N-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
CID 21232945
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(3-chloro-4-fluorophenyl)furan-2-carboxamide
CID 43914414
2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126393
2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1322845

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide (CID 23821250) is 5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide is O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is YEMWVZWTDDTDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10BrCl3N2O2/c21-10-1-4-15(23)13(7-10)19(27)25-12-3-6-18-17(9-12)26-20(28-18)14-8-11(22)2-5-16(14)24/h1-9H,(H,25,27).
What are the key properties of 5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 496.58 g/mol, XLogP of 7.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 23821250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).