4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide

C14H10BrClN2O3 — CID 26087185

IUPAC4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1Cl
InChIInChI=1S/C14H10BrClN2O3/c1-8-2-4-10(7-12(8)16)17-14(19)9-3-5-11(15)13(6-9)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyZJPHEUSAHSTEHT-UHFFFAOYSA-N
MW369.60 g/mol
LogP4.57
Rot. Bonds3

About 4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide

4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide (PubChem CID 26087185) has the molecular formula C14H10BrClN2O3 and a molecular weight of 369.60 g/mol. Its IUPAC name is 4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide
PubChem CID26087185
Molecular FormulaC14H10BrClN2O3
Molecular Weight369.60 g/mol
Exact Mass367.96
IUPAC Name4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1Cl
InChIInChI=1S/C14H10BrClN2O3/c1-8-2-4-10(7-12(8)16)17-14(19)9-3-5-11(15)13(6-9)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyZJPHEUSAHSTEHT-UHFFFAOYSA-N
XLogP4.57
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.60
LogP ≤ 54.57
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

4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
4-bromo-N-(3-methylphenyl)-3-nitrobenzamide
CID 8713916
N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
CID 107619731
4-bromo-N-(3-chloro-4-methylphenyl)-3-hydroxybenzamide
CID 103830447
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
4-bromo-3-nitro-N-(4-propan-2-ylphenyl)benzamide
CID 7761382
2-[4-[(3-chloro-4-methylphenyl)carbamoyl]-2-nitroanilino]ethylazanium
CID 7327095
N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-methyl-3-nitrobenzamide
CID 1339283
3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide
CID 107999621
N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
CID 711327

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide?
The IUPAC name of 4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide (CID 26087185) is 4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide?
The canonical SMILES for 4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide is Cc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1Cl.
What is the InChIKey of 4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide?
The InChIKey is ZJPHEUSAHSTEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O3/c1-8-2-4-10(7-12(8)16)17-14(19)9-3-5-11(15)13(6-9)18(20)21/h2-7H,1H3,(H,17,19).
What are the key properties of 4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide?
4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide has a molecular weight of 369.60 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 26087185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).