5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide

C15H12BrClN2O4 — CID 2910232

IUPAC5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C
InChIInChI=1S/C15H12BrClN2O4/c1-8-5-13(19(21)22)11(17)7-12(8)18-15(20)10-6-9(16)3-4-14(10)23-2/h3-7H,1-2H3,(H,18,20)
InChIKeyUHAREORRPCHZGP-UHFFFAOYSA-N
MW399.63 g/mol
LogP4.58
Rot. Bonds4

About 5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide

5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide (PubChem CID 2910232) has the molecular formula C15H12BrClN2O4 and a molecular weight of 399.63 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide
PubChem CID2910232
Molecular FormulaC15H12BrClN2O4
Molecular Weight399.63 g/mol
Exact Mass397.97
IUPAC Name5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C
InChIInChI=1S/C15H12BrClN2O4/c1-8-5-13(19(21)22)11(17)7-12(8)18-15(20)10-6-9(16)3-4-14(10)23-2/h3-7H,1-2H3,(H,18,20)
InChIKeyUHAREORRPCHZGP-UHFFFAOYSA-N
XLogP4.58
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.63
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide
CID 17102198
4-chloro-2-[(2-methoxy-5-methylbenzoyl)amino]-5-nitrobenzamide
CID 54313561
N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide
CID 3683466
5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 2994913
5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 1121307
5-bromo-2-chloro-N-(4-methyl-2-nitrophenyl)benzamide
CID 2886785
5-bromo-N-(2-hydroxy-4-nitrophenyl)-2-methoxybenzamide
CID 4982416
5-bromo-2-chloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 2529315
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide
CID 26877061
5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 2909842
4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid
CID 28671790

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide (CID 2910232) is 5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C.
What is the InChIKey of 5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide?
The InChIKey is UHAREORRPCHZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O4/c1-8-5-13(19(21)22)11(17)7-12(8)18-15(20)10-6-9(16)3-4-14(10)23-2/h3-7H,1-2H3,(H,18,20).
What are the key properties of 5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide?
5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide has a molecular weight of 399.63 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide is sourced from PubChem (CID 2910232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).