N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide

C15H13BrN2O3 — CID 106592005

IUPACN-(2-bromophenyl)-2-(3-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1Br)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13BrN2O3/c1-10(11-5-4-6-12(9-11)18(20)21)15(19)17-14-8-3-2-7-13(14)16/h2-10H,1H3,(H,17,19)
InChIKeyHPMZBOHCGXAKJE-UHFFFAOYSA-N
MW349.18 g/mol
LogP4.10
Rot. Bonds4

About N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide

N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide (PubChem CID 106592005) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(3-nitrophenyl)propanamide
PubChem CID106592005
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC NameN-(2-bromophenyl)-2-(3-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1Br)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13BrN2O3/c1-10(11-5-4-6-12(9-11)18(20)21)15(19)17-14-8-3-2-7-13(14)16/h2-10H,1H3,(H,17,19)
InChIKeyHPMZBOHCGXAKJE-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
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

(2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide
CID 895338
N-(2-bromo-3-pyridinyl)-2-(3-nitrophenyl)propanamide
CID 106737138
N-(4-iodophenyl)-2-(3-nitrophenyl)propanamide
CID 106592010
N-(3-bromo-2-methylphenyl)-2-phenylpropanamide
CID 104917334
N'-(2-bromophenyl)-N-(3-nitrophenyl)oxamide
CID 108513373
N-[(2S)-2-hydroxypropyl]-2-(3-nitrophenyl)propanamide
CID 106592096
N-[(3-bromothiophen-2-yl)methyl]-2-(3-nitrophenyl)propanamide
CID 106592019
2-[2-(3-nitrophenyl)propanoylamino]acetic acid
CID 106591944
2-(3-nitrophenyl)-N-(1H-pyrazol-4-yl)propanamide
CID 106592132
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide
CID 106592029
N-[(2-bromophenyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 60942332

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide?
The IUPAC name of N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide (CID 106592005) is N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide?
The canonical SMILES for N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide is CC(C(=O)Nc1ccccc1Br)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide?
The InChIKey is HPMZBOHCGXAKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-10(11-5-4-6-12(9-11)18(20)21)15(19)17-14-8-3-2-7-13(14)16/h2-10H,1H3,(H,17,19).
What are the key properties of N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide?
N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide has a molecular weight of 349.18 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide is sourced from PubChem (CID 106592005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).