5-bromo-2-chloro-N-[2-chloro-5-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide

C22H15BrCl2N2O2 — CID 2173612

IUPAC5-bromo-2-chloro-N-[2-chloro-5-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCc1cc2nc(-c3ccc(Cl)c(NC(=O)c4cc(Br)ccc4Cl)c3)oc2cc1C
InChIInChI=1S/C22H15BrCl2N2O2/c1-11-7-19-20(8-12(11)2)29-22(27-19)13-3-5-17(25)18(9-13)26-21(28)15-10-14(23)4-6-16(15)24/h3-10H,1-2H3,(H,26,28)
InChIKeyWGTMHVNHWWVJJP-UHFFFAOYSA-N
MW490.18 g/mol
LogP7.43
Rot. Bonds3

About 5-bromo-2-chloro-N-[2-chloro-5-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide

5-bromo-2-chloro-N-[2-chloro-5-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 2173612) has the molecular formula C22H15BrCl2N2O2 and a molecular weight of 490.18 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-chloro-5-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-chloro-5-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID2173612
Molecular FormulaC22H15BrCl2N2O2
Molecular Weight490.18 g/mol
Exact Mass487.97
IUPAC Name5-bromo-2-chloro-N-[2-chloro-5-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCc1cc2nc(-c3ccc(Cl)c(NC(=O)c4cc(Br)ccc4Cl)c3)oc2cc1C
InChIInChI=1S/C22H15BrCl2N2O2/c1-11-7-19-20(8-12(11)2)29-22(27-19)13-3-5-17(25)18(9-13)26-21(28)15-10-14(23)4-6-16(15)24/h3-10H,1-2H3,(H,26,28)
InChIKeyWGTMHVNHWWVJJP-UHFFFAOYSA-N
XLogP7.43
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.18
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methylbenzamide
CID 3629314
5-bromo-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 3356107
3-bromo-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
CID 17092399
4-bromo-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyphenyl]benzamide
CID 3322598
2-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 23961409
2-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-5-iodobenzamide
CID 3117254
5-bromo-N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-methoxybenzamide
CID 4254210
5-bromo-2-chloro-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
CID 3389820
2-chloro-4-methyl-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 17176784
N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,4-dimethylbenzamide
CID 17092390
5-chloro-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 2298639
2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyphenyl]-4-nitrobenzamide
CID 3323656

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-chloro-5-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-chloro-5-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 2173612) is 5-bromo-2-chloro-N-[2-chloro-5-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-chloro-5-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-chloro-5-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide is Cc1cc2nc(-c3ccc(Cl)c(NC(=O)c4cc(Br)ccc4Cl)c3)oc2cc1C.
What is the InChIKey of 5-bromo-2-chloro-N-[2-chloro-5-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is WGTMHVNHWWVJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrCl2N2O2/c1-11-7-19-20(8-12(11)2)29-22(27-19)13-3-5-17(25)18(9-13)26-21(28)15-10-14(23)4-6-16(15)24/h3-10H,1-2H3,(H,26,28).
What are the key properties of 5-bromo-2-chloro-N-[2-chloro-5-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
5-bromo-2-chloro-N-[2-chloro-5-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 490.18 g/mol, XLogP of 7.43, 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-chloro-5-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 2173612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).