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

C15H14BrN3O3 — CID 16620730

IUPACN-(3-bromophenyl)-3-(2-nitroanilino)propanamide
SMILESO=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(Br)c1
InChIInChI=1S/C15H14BrN3O3/c16-11-4-3-5-12(10-11)18-15(20)8-9-17-13-6-1-2-7-14(13)19(21)22/h1-7,10,17H,8-9H2,(H,18,20)
InChIKeyZBXUNFAENZJZIJ-UHFFFAOYSA-N
MW364.20 g/mol
LogP3.80
Rot. Bonds6

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

N-(3-bromophenyl)-3-(2-nitroanilino)propanamide (PubChem CID 16620730) has the molecular formula C15H14BrN3O3 and a molecular weight of 364.20 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(2-nitroanilino)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(2-nitroanilino)propanamide
PubChem CID16620730
Molecular FormulaC15H14BrN3O3
Molecular Weight364.20 g/mol
Exact Mass363.02
IUPAC NameN-(3-bromophenyl)-3-(2-nitroanilino)propanamide
SMILESO=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(Br)c1
InChIInChI=1S/C15H14BrN3O3/c16-11-4-3-5-12(10-11)18-15(20)8-9-17-13-6-1-2-7-14(13)19(21)22/h1-7,10,17H,8-9H2,(H,18,20)
InChIKeyZBXUNFAENZJZIJ-UHFFFAOYSA-N
XLogP3.80
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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CID 109042155
N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide
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3-(2-nitroanilino)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
CID 46412486
N-(2,5-dibromo-3-pyridinyl)-3-(2-nitroanilino)propanamide
CID 71849761
N-(3,5-dimethoxyphenyl)-3-(2-nitroanilino)propanamide
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N-[2-methyl-5-(propanoylamino)phenyl]-3-(2-nitroanilino)propanamide
CID 46478294
N-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109040694
N-(2-bromo-4-methylphenyl)-3-(2-nitroanilino)propanamide
CID 16797523
N-(3-bromophenyl)-4-(4-nitroanilino)butanamide
CID 29199698
N-(1-methyl-6-oxo-3-pyridinyl)-3-(2-nitroanilino)propanamide
CID 47067450
1-[[3-[3-(2-nitroanilino)propanoylamino]phenyl]methyl]piperidine-4-carboxamide
CID 55767843
N-(5-fluoro-2-methylphenyl)-3-(2-nitroanilino)propanamide
CID 16962362

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(2-nitroanilino)propanamide?
The IUPAC name of N-(3-bromophenyl)-3-(2-nitroanilino)propanamide (CID 16620730) is N-(3-bromophenyl)-3-(2-nitroanilino)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(2-nitroanilino)propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-(2-nitroanilino)propanamide is O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-(2-nitroanilino)propanamide?
The InChIKey is ZBXUNFAENZJZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O3/c16-11-4-3-5-12(10-11)18-15(20)8-9-17-13-6-1-2-7-14(13)19(21)22/h1-7,10,17H,8-9H2,(H,18,20).
What are the key properties of N-(3-bromophenyl)-3-(2-nitroanilino)propanamide?
N-(3-bromophenyl)-3-(2-nitroanilino)propanamide has a molecular weight of 364.20 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(2-nitroanilino)propanamide is sourced from PubChem (CID 16620730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).