N-(2-bromophenyl)-2-methyl-3,5-dinitrobenzamide

C14H10BrN3O5 — CID 3296693

IUPACN-(2-bromophenyl)-2-methyl-3,5-dinitrobenzamide
SMILESCc1c(C(=O)Nc2ccccc2Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C14H10BrN3O5/c1-8-10(6-9(17(20)21)7-13(8)18(22)23)14(19)16-12-5-3-2-4-11(12)15/h2-7H,1H3,(H,16,19)
InChIKeyMEDBYVLSHOICOJ-UHFFFAOYSA-N
MW380.15 g/mol
LogP3.83
Rot. Bonds4

About N-(2-bromophenyl)-2-methyl-3,5-dinitrobenzamide

N-(2-bromophenyl)-2-methyl-3,5-dinitrobenzamide (PubChem CID 3296693) has the molecular formula C14H10BrN3O5 and a molecular weight of 380.15 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-methyl-3,5-dinitrobenzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-methyl-3,5-dinitrobenzamide
PubChem CID3296693
Molecular FormulaC14H10BrN3O5
Molecular Weight380.15 g/mol
Exact Mass378.98
IUPAC NameN-(2-bromophenyl)-2-methyl-3,5-dinitrobenzamide
SMILESCc1c(C(=O)Nc2ccccc2Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C14H10BrN3O5/c1-8-10(6-9(17(20)21)7-13(8)18(22)23)14(19)16-12-5-3-2-4-11(12)15/h2-7H,1H3,(H,16,19)
InChIKeyMEDBYVLSHOICOJ-UHFFFAOYSA-N
XLogP3.83
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.15
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-bromophenyl)-2,4-dinitrobenzamide
CID 4244481
N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3,5-dinitrobenzamide
CID 17256776
N-(4-bromo-3-chlorophenyl)-2-methyl-3,5-dinitrobenzamide
CID 17256775
N-(3,4-dimethylphenyl)-2-methyl-3,5-dinitrobenzamide
CID 4630159
2-chloro-N-(2-methyl-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4633766
2-methyl-3,5-dinitro-N-trimethylsilylbenzamide
CID 91697364
2-methyl-N-(4-methylsulfanylphenyl)-3,5-dinitrobenzamide
CID 42369778
N-(4-bromo-2-methylphenyl)-2-chloro-3,5-dinitrobenzamide
CID 4633258
N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide
CID 4674199
2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide
CID 1371919
N-(2-bromophenyl)-2-(2,4-dinitrophenyl)acetamide
CID 3270507
N-(2-bromophenyl)-5-nitro-2-piperidin-1-ylbenzamide
CID 26913690

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-methyl-3,5-dinitrobenzamide?
The IUPAC name of N-(2-bromophenyl)-2-methyl-3,5-dinitrobenzamide (CID 3296693) is N-(2-bromophenyl)-2-methyl-3,5-dinitrobenzamide.
What is the SMILES notation for N-(2-bromophenyl)-2-methyl-3,5-dinitrobenzamide?
The canonical SMILES for N-(2-bromophenyl)-2-methyl-3,5-dinitrobenzamide is Cc1c(C(=O)Nc2ccccc2Br)cc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N-(2-bromophenyl)-2-methyl-3,5-dinitrobenzamide?
The InChIKey is MEDBYVLSHOICOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O5/c1-8-10(6-9(17(20)21)7-13(8)18(22)23)14(19)16-12-5-3-2-4-11(12)15/h2-7H,1H3,(H,16,19).
What are the key properties of N-(2-bromophenyl)-2-methyl-3,5-dinitrobenzamide?
N-(2-bromophenyl)-2-methyl-3,5-dinitrobenzamide has a molecular weight of 380.15 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-methyl-3,5-dinitrobenzamide is sourced from PubChem (CID 3296693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).