5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide

C15H10BrClN2O2 — CID 110417913

IUPAC5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide
SMILESCc1nc2cccc(NC(=O)c3cc(Br)ccc3Cl)c2o1
InChIInChI=1S/C15H10BrClN2O2/c1-8-18-12-3-2-4-13(14(12)21-8)19-15(20)10-7-9(16)5-6-11(10)17/h2-7H,1H3,(H,19,20)
InChIKeyMBYLEFUKCHLNNT-UHFFFAOYSA-N
MW365.61 g/mol
LogP4.80
Rot. Bonds2

About 5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide

5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide (PubChem CID 110417913) has the molecular formula C15H10BrClN2O2 and a molecular weight of 365.61 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide
PubChem CID110417913
Molecular FormulaC15H10BrClN2O2
Molecular Weight365.61 g/mol
Exact Mass363.96
IUPAC Name5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide
SMILESCc1nc2cccc(NC(=O)c3cc(Br)ccc3Cl)c2o1
InChIInChI=1S/C15H10BrClN2O2/c1-8-18-12-3-2-4-13(14(12)21-8)19-15(20)10-7-9(16)5-6-11(10)17/h2-7H,1H3,(H,19,20)
InChIKeyMBYLEFUKCHLNNT-UHFFFAOYSA-N
XLogP4.80
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide
CID 110358515
5-bromo-N-(2-bromo-3-chlorophenyl)-2-chlorobenzamide
CID 103479655
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
5-bromo-2-chloro-N-(3-chloro-2-fluorophenyl)benzamide
CID 26897422
2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)-5-phenylbenzamide
CID 110417859
5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298302
5-bromo-2-chloro-N-[2-chloro-5-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 2173612
5-bromo-N-(2-chlorophenyl)-2-methylbenzamide
CID 65306919
5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide
CID 103738286
5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide
CID 43378988
2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide
CID 113345152
N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
CID 43378791

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide (CID 110417913) is 5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide is Cc1nc2cccc(NC(=O)c3cc(Br)ccc3Cl)c2o1.
What is the InChIKey of 5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide?
The InChIKey is MBYLEFUKCHLNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2/c1-8-18-12-3-2-4-13(14(12)21-8)19-15(20)10-7-9(16)5-6-11(10)17/h2-7H,1H3,(H,19,20).
What are the key properties of 5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide?
5-bromo-2-chloro-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide has a molecular weight of 365.61 g/mol, XLogP of 4.80, 2 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-methyl-1,3-benzoxazol-7-yl)benzamide is sourced from PubChem (CID 110417913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).