N-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide

C15H13BrN2O3 — CID 115648809

IUPACN-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(Br)c1
InChIInChI=1S/C15H13BrN2O3/c1-10-5-6-14(13(16)7-10)17-15(19)9-11-3-2-4-12(8-11)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChIKeyQVAQDVPKOCIBNZ-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.85
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide

N-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide (PubChem CID 115648809) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide
PubChem CID115648809
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(Br)c1
InChIInChI=1S/C15H13BrN2O3/c1-10-5-6-14(13(16)7-10)17-15(19)9-11-3-2-4-12(8-11)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChIKeyQVAQDVPKOCIBNZ-UHFFFAOYSA-N
XLogP3.85
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.85
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

N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 107745566
N-(2-hydroxy-5-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 103863285
N-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide
CID 71919211
N-(2-bromo-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 1069900
N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide
CID 71912285
2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 100698766
N-(2-bromo-4-methylphenyl)-2-(2,6-dichlorophenyl)acetamide
CID 2707551
N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide
CID 55733652
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
(3-nitrophenyl)methyl 4-(2,4-dimethylanilino)-4-oxobutanoate
CID 3622585
2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 103894337
N-(2-amino-5-fluorophenyl)-2-(3-nitrophenyl)acetamide
CID 115736626

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide (CID 115648809) is N-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide is Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide?
The InChIKey is QVAQDVPKOCIBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-10-5-6-14(13(16)7-10)17-15(19)9-11-3-2-4-12(8-11)18(20)21/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide?
N-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide has a molecular weight of 349.18 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 115648809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).