3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide

C15H13BrClNO2 — CID 103988699

IUPAC3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
SMILESCOc1cc(C)ccc1NC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C15H13BrClNO2/c1-9-6-7-12(13(8-9)20-2)18-15(19)10-4-3-5-11(16)14(10)17/h3-8H,1-2H3,(H,18,19)
InChIKeyVEEVCPORLOPOFB-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.67
Rot. Bonds3

About 3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide

3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide (PubChem CID 103988699) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
PubChem CID103988699
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
SMILESCOc1cc(C)ccc1NC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C15H13BrClNO2/c1-9-6-7-12(13(8-9)20-2)18-15(19)10-4-3-5-11(16)14(10)17/h3-8H,1-2H3,(H,18,19)
InChIKeyVEEVCPORLOPOFB-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

2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide
CID 103853431
3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide
CID 103989322
2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
CID 61042493
N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide
CID 66596351
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785
N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide
CID 26524219
N-(4-bromo-2,3-dichlorophenyl)-2-hydroxy-3-methoxybenzamide
CID 107791061
N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 24703596
3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 103841734
4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117425
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide
CID 103852727

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide (CID 103988699) is 3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide is COc1cc(C)ccc1NC(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide?
The InChIKey is VEEVCPORLOPOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-9-6-7-12(13(8-9)20-2)18-15(19)10-4-3-5-11(16)14(10)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide?
3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide 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 3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide is sourced from PubChem (CID 103988699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).