N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide

C15H13BrClNO2 — CID 81272413

IUPACN-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C15H13BrClNO2/c1-9-3-6-14(20-2)11(7-9)15(19)18-13-8-10(17)4-5-12(13)16/h3-8H,1-2H3,(H,18,19)
InChIKeyBYQRPXDTJRDHMT-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.67
Rot. Bonds3

About N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide

N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide (PubChem CID 81272413) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide
PubChem CID81272413
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC NameN-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C15H13BrClNO2/c1-9-3-6-14(20-2)11(7-9)15(19)18-13-8-10(17)4-5-12(13)16/h3-8H,1-2H3,(H,18,19)
InChIKeyBYQRPXDTJRDHMT-UHFFFAOYSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-methylphenyl)-5-chloro-2-methoxybenzamide
CID 82707312
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide
CID 62415657
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618
N-(2-bromo-5-chlorophenyl)-4-methyl-2-(methylamino)benzamide
CID 81275377
N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 103842569
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide
CID 103414555
2,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 965623
N-(4-bromo-3-methylphenyl)-5-chloro-2-methoxybenzamide
CID 2198688
2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
CID 80974126

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide (CID 81272413) is N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide?
The InChIKey is BYQRPXDTJRDHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-9-3-6-14(20-2)11(7-9)15(19)18-13-8-10(17)4-5-12(13)16/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide?
N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide has a molecular weight of 354.63 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 81272413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).