3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide

C15H13BrN2O4 — CID 1013418

IUPAC3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C15H13BrN2O4/c1-9-3-4-10(7-12(9)16)15(19)17-13-8-11(18(20)21)5-6-14(13)22-2/h3-8H,1-2H3,(H,17,19)
InChIKeyYGMMTPZUULJIIJ-UHFFFAOYSA-N
MW365.18 g/mol
LogP3.93
Rot. Bonds4

About 3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide

3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide (PubChem CID 1013418) has the molecular formula C15H13BrN2O4 and a molecular weight of 365.18 g/mol. Its IUPAC name is 3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
PubChem CID1013418
Molecular FormulaC15H13BrN2O4
Molecular Weight365.18 g/mol
Exact Mass364.01
IUPAC Name3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C15H13BrN2O4/c1-9-3-4-10(7-12(9)16)15(19)17-13-8-11(18(20)21)5-6-14(13)22-2/h3-8H,1-2H3,(H,17,19)
InChIKeyYGMMTPZUULJIIJ-UHFFFAOYSA-N
XLogP3.93
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 53.93
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

3-bromo-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-4-methylbenzamide
CID 3373236
3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 46615926
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide
CID 134044498
5-bromo-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 43424598
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710
3-bromo-4-chloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 103841659
4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2213710
6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 2108909
N-(2-methoxy-5-nitrophenyl)-4-(2-methylpropanoylamino)benzamide
CID 55606845
2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide
CID 16797089

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide?
The IUPAC name of 3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide (CID 1013418) is 3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide?
The InChIKey is YGMMTPZUULJIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O4/c1-9-3-4-10(7-12(9)16)15(19)17-13-8-11(18(20)21)5-6-14(13)22-2/h3-8H,1-2H3,(H,17,19).
What are the key properties of 3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide?
3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide has a molecular weight of 365.18 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide is sourced from PubChem (CID 1013418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).