3-bromo-N-(2,4-dimethyl-6-nitrophenyl)benzamide

C15H13BrN2O3 — CID 2940333

IUPAC3-bromo-N-(2,4-dimethyl-6-nitrophenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cccc(Br)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13BrN2O3/c1-9-6-10(2)14(13(7-9)18(20)21)17-15(19)11-4-3-5-12(16)8-11/h3-8H,1-2H3,(H,17,19)
InChIKeyMRPNQCSYNBNAID-UHFFFAOYSA-N
MW349.18 g/mol
LogP4.23
Rot. Bonds3

About 3-bromo-N-(2,4-dimethyl-6-nitrophenyl)benzamide

3-bromo-N-(2,4-dimethyl-6-nitrophenyl)benzamide (PubChem CID 2940333) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 3-bromo-N-(2,4-dimethyl-6-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2,4-dimethyl-6-nitrophenyl)benzamide
PubChem CID2940333
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name3-bromo-N-(2,4-dimethyl-6-nitrophenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cccc(Br)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13BrN2O3/c1-9-6-10(2)14(13(7-9)18(20)21)17-15(19)11-4-3-5-12(16)8-11/h3-8H,1-2H3,(H,17,19)
InChIKeyMRPNQCSYNBNAID-UHFFFAOYSA-N
XLogP4.23
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxy-6-nitrophenyl)benzamide
CID 107681117
N-(2,4-dimethyl-6-nitrophenyl)-3H-benzimidazole-5-carboxamide
CID 18847586
N-(2,4-dimethyl-6-nitrophenyl)propanamide
CID 66522913
3-bromo-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 17358287
3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
CID 34655216
3-bromo-N-[3-[(3-bromobenzoyl)amino]-4-nitrophenyl]benzamide
CID 3611038
N-(2-methyl-6-nitrophenyl)benzamide
CID 4188986
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
3-[(3-bromobenzoyl)amino]-N-(4-fluoro-3-nitrophenyl)benzamide
CID 112832453
N-(2-ethyl-6-methylphenyl)-3-methyl-4-nitrobenzamide
CID 924495
4-bromo-N-(3-methylphenyl)-3-nitrobenzamide
CID 8713916
N-(2-chloro-4,6-dimethylphenyl)-4-methylsulfanyl-3-nitrobenzamide
CID 26200107

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,4-dimethyl-6-nitrophenyl)benzamide?
The IUPAC name of 3-bromo-N-(2,4-dimethyl-6-nitrophenyl)benzamide (CID 2940333) is 3-bromo-N-(2,4-dimethyl-6-nitrophenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(2,4-dimethyl-6-nitrophenyl)benzamide?
The canonical SMILES for 3-bromo-N-(2,4-dimethyl-6-nitrophenyl)benzamide is Cc1cc(C)c(NC(=O)c2cccc(Br)c2)c([N+](=O)[O-])c1.
What is the InChIKey of 3-bromo-N-(2,4-dimethyl-6-nitrophenyl)benzamide?
The InChIKey is MRPNQCSYNBNAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-9-6-10(2)14(13(7-9)18(20)21)17-15(19)11-4-3-5-12(16)8-11/h3-8H,1-2H3,(H,17,19).
What are the key properties of 3-bromo-N-(2,4-dimethyl-6-nitrophenyl)benzamide?
3-bromo-N-(2,4-dimethyl-6-nitrophenyl)benzamide has a molecular weight of 349.18 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,4-dimethyl-6-nitrophenyl)benzamide is sourced from PubChem (CID 2940333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).