N-(3-bromophenyl)-4-methyl-2-(methylamino)-5-nitrobenzamide

C15H14BrN3O3 — CID 156635606

IUPACN-(3-bromophenyl)-4-methyl-2-(methylamino)-5-nitrobenzamide
SMILESCNc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H14BrN3O3/c1-9-6-13(17-2)12(8-14(9)19(21)22)15(20)18-11-5-3-4-10(16)7-11/h3-8,17H,1-2H3,(H,18,20)
InChIKeyWUWRAXMKZIDLGR-UHFFFAOYSA-N
MW364.20 g/mol
LogP3.96
Rot. Bonds4

About N-(3-bromophenyl)-4-methyl-2-(methylamino)-5-nitrobenzamide

N-(3-bromophenyl)-4-methyl-2-(methylamino)-5-nitrobenzamide (PubChem CID 156635606) has the molecular formula C15H14BrN3O3 and a molecular weight of 364.20 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-methyl-2-(methylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-methyl-2-(methylamino)-5-nitrobenzamide
PubChem CID156635606
Molecular FormulaC15H14BrN3O3
Molecular Weight364.20 g/mol
Exact Mass363.02
IUPAC NameN-(3-bromophenyl)-4-methyl-2-(methylamino)-5-nitrobenzamide
SMILESCNc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H14BrN3O3/c1-9-6-13(17-2)12(8-14(9)19(21)22)15(20)18-11-5-3-4-10(16)7-11/h3-8,17H,1-2H3,(H,18,20)
InChIKeyWUWRAXMKZIDLGR-UHFFFAOYSA-N
XLogP3.96
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 53.96
H-Bond Donors ≤ 52
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-(3-bromophenyl)-2-methyl-3-nitrobenzamide
CID 799056
5-amino-N-(3-bromophenyl)-2-nitrobenzamide
CID 62154023
N-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide
CID 107121691
2-amino-N-(3-bromophenyl)-5-nitrobenzamide
CID 62156590
2-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 115936364
2,4-dibromo-N-(3-methyl-4-nitrophenyl)benzamide
CID 103932023
2-(3-bromoanilino)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 9080395
N-(3-bromophenyl)-3-fluoro-4-methyl-5-nitrobenzamide
CID 46487800
4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 9341535
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
CID 56851222
N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102349

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-methyl-2-(methylamino)-5-nitrobenzamide?
The IUPAC name of N-(3-bromophenyl)-4-methyl-2-(methylamino)-5-nitrobenzamide (CID 156635606) is N-(3-bromophenyl)-4-methyl-2-(methylamino)-5-nitrobenzamide.
What is the SMILES notation for N-(3-bromophenyl)-4-methyl-2-(methylamino)-5-nitrobenzamide?
The canonical SMILES for N-(3-bromophenyl)-4-methyl-2-(methylamino)-5-nitrobenzamide is CNc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-4-methyl-2-(methylamino)-5-nitrobenzamide?
The InChIKey is WUWRAXMKZIDLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O3/c1-9-6-13(17-2)12(8-14(9)19(21)22)15(20)18-11-5-3-4-10(16)7-11/h3-8,17H,1-2H3,(H,18,20).
What are the key properties of N-(3-bromophenyl)-4-methyl-2-(methylamino)-5-nitrobenzamide?
N-(3-bromophenyl)-4-methyl-2-(methylamino)-5-nitrobenzamide has a molecular weight of 364.20 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-methyl-2-(methylamino)-5-nitrobenzamide is sourced from PubChem (CID 156635606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).