N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide

C15H13BrClNO2 — CID 34054741

IUPACN-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C15H13BrClNO2/c1-9-3-6-14(20-2)11(7-9)15(19)18-13-5-4-10(16)8-12(13)17/h3-8H,1-2H3,(H,18,19)
InChIKeyNZZYPGOJOOYVOB-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.67
Rot. Bonds3

About N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide

N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide (PubChem CID 34054741) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
PubChem CID34054741
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C15H13BrClNO2/c1-9-3-6-14(20-2)11(7-9)15(19)18-13-5-4-10(16)8-12(13)17/h3-8H,1-2H3,(H,18,19)
InChIKeyNZZYPGOJOOYVOB-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

5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
CID 61093558
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
5-bromo-2-chloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 2529315
2-amino-N-(4-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62509847
5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 1121307
N-(2-chloro-4-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 55348812
2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
CID 80974126
2-bromo-N-(4-bromo-2-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 53267535
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639
N-(2-bromo-5-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 81272413
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide (CID 34054741) is N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide?
The InChIKey is NZZYPGOJOOYVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-9-3-6-14(20-2)11(7-9)15(19)18-13-5-4-10(16)8-12(13)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide?
N-(4-bromo-2-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-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 34054741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).