N-(3-bromophenyl)-2-(4-nitrophenyl)propanamide

C15H13BrN2O3 — CID 2944252

IUPACN-(3-bromophenyl)-2-(4-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13BrN2O3/c1-10(11-5-7-14(8-6-11)18(20)21)15(19)17-13-4-2-3-12(16)9-13/h2-10H,1H3,(H,17,19)
InChIKeyPSIJBKMRCGEQPU-UHFFFAOYSA-N
MW349.18 g/mol
LogP4.10
Rot. Bonds4

About N-(3-bromophenyl)-2-(4-nitrophenyl)propanamide

N-(3-bromophenyl)-2-(4-nitrophenyl)propanamide (PubChem CID 2944252) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4-nitrophenyl)propanamide
PubChem CID2944252
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC NameN-(3-bromophenyl)-2-(4-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13BrN2O3/c1-10(11-5-7-14(8-6-11)18(20)21)15(19)17-13-4-2-3-12(16)9-13/h2-10H,1H3,(H,17,19)
InChIKeyPSIJBKMRCGEQPU-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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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(4-nitrophenyl)propanamide?
The IUPAC name of N-(3-bromophenyl)-2-(4-nitrophenyl)propanamide (CID 2944252) is N-(3-bromophenyl)-2-(4-nitrophenyl)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4-nitrophenyl)propanamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4-nitrophenyl)propanamide is CC(C(=O)Nc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(3-bromophenyl)-2-(4-nitrophenyl)propanamide?
The InChIKey is PSIJBKMRCGEQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-10(11-5-7-14(8-6-11)18(20)21)15(19)17-13-4-2-3-12(16)9-13/h2-10H,1H3,(H,17,19).
What are the key properties of N-(3-bromophenyl)-2-(4-nitrophenyl)propanamide?
N-(3-bromophenyl)-2-(4-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-(3-bromophenyl)-2-(4-nitrophenyl)propanamide is sourced from PubChem (CID 2944252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).