3,5-dibromo-N-[(4-nitrophenyl)methyl]benzamide

C14H10Br2N2O3 — CID 107980090

IUPAC3,5-dibromo-N-[(4-nitrophenyl)methyl]benzamide
SMILESO=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H10Br2N2O3/c15-11-5-10(6-12(16)7-11)14(19)17-8-9-1-3-13(4-2-9)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyCIBSPQRXZFQTKH-UHFFFAOYSA-N
MW414.05 g/mol
LogP4.05
Rot. Bonds4

About 3,5-dibromo-N-[(4-nitrophenyl)methyl]benzamide

3,5-dibromo-N-[(4-nitrophenyl)methyl]benzamide (PubChem CID 107980090) has the molecular formula C14H10Br2N2O3 and a molecular weight of 414.05 g/mol. Its IUPAC name is 3,5-dibromo-N-[(4-nitrophenyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[(4-nitrophenyl)methyl]benzamide
PubChem CID107980090
Molecular FormulaC14H10Br2N2O3
Molecular Weight414.05 g/mol
Exact Mass411.91
IUPAC Name3,5-dibromo-N-[(4-nitrophenyl)methyl]benzamide
SMILESO=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H10Br2N2O3/c15-11-5-10(6-12(16)7-11)14(19)17-8-9-1-3-13(4-2-9)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyCIBSPQRXZFQTKH-UHFFFAOYSA-N
XLogP4.05
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.05
LogP ≤ 54.05
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-[(4-ethylphenyl)methyl]-4-nitrobenzamide
CID 71822483
N-[(4-fluorophenyl)methyl]-4-nitrobenzamide
CID 1101313
N-benzyl-3,5-dinitro(11C)benzamide
CID 71606848
1-(3,5-dibromophenyl)-2-(4-nitrophenyl)ethanone
CID 107980624
N-benzyl-3,5-dinitrobenzamide
CID 4296325
5-bromo-2-iodo-N-[(4-nitrophenyl)methyl]benzamide
CID 60535857
4-amino-3-fluoro-N-[(4-nitrophenyl)methyl]benzamide
CID 63188689
4-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 2164802
N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide
CID 10314877
5-bromo-N-[(4-nitrophenyl)methyl]thiophene-2-carboxamide
CID 47311870
4-acetamido-N-[(4-nitrophenyl)methyl]benzamide
CID 60535872
N-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide
CID 55900128

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(4-nitrophenyl)methyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[(4-nitrophenyl)methyl]benzamide (CID 107980090) is 3,5-dibromo-N-[(4-nitrophenyl)methyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[(4-nitrophenyl)methyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[(4-nitrophenyl)methyl]benzamide is O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[(4-nitrophenyl)methyl]benzamide?
The InChIKey is CIBSPQRXZFQTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O3/c15-11-5-10(6-12(16)7-11)14(19)17-8-9-1-3-13(4-2-9)18(20)21/h1-7H,8H2,(H,17,19).
What are the key properties of 3,5-dibromo-N-[(4-nitrophenyl)methyl]benzamide?
3,5-dibromo-N-[(4-nitrophenyl)methyl]benzamide has a molecular weight of 414.05 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(4-nitrophenyl)methyl]benzamide is sourced from PubChem (CID 107980090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).