2-(5-bromo-2-nitroanilino)-N-ethylpropanamide

C11H14BrN3O3 — CID 65341502

IUPAC2-(5-bromo-2-nitroanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1cc(Br)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14BrN3O3/c1-3-13-11(16)7(2)14-9-6-8(12)4-5-10(9)15(17)18/h4-7,14H,3H2,1-2H3,(H,13,16)
InChIKeyFAVNHKAOOQWVHH-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.29
Rot. Bonds5

About 2-(5-bromo-2-nitroanilino)-N-ethylpropanamide

2-(5-bromo-2-nitroanilino)-N-ethylpropanamide (PubChem CID 65341502) has the molecular formula C11H14BrN3O3 and a molecular weight of 316.16 g/mol. Its IUPAC name is 2-(5-bromo-2-nitroanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(5-bromo-2-nitroanilino)-N-ethylpropanamide
PubChem CID65341502
Molecular FormulaC11H14BrN3O3
Molecular Weight316.16 g/mol
Exact Mass315.02
IUPAC Name2-(5-bromo-2-nitroanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1cc(Br)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14BrN3O3/c1-3-13-11(16)7(2)14-9-6-8(12)4-5-10(9)15(17)18/h4-7,14H,3H2,1-2H3,(H,13,16)
InChIKeyFAVNHKAOOQWVHH-UHFFFAOYSA-N
XLogP2.29
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.29
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

3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-4-nitrobenzoic acid
CID 82784729
2-(5-bromo-2-nitroanilino)-3-methylbutanoic acid
CID 65341434
2-(5-cyano-2-nitroanilino)-N-propylpropanamide
CID 104713564
4-nitro-3-[[1-oxo-1-(propylamino)propan-2-yl]amino]benzamide
CID 82991891
4-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-N-methyl-3-nitrobenzamide
CID 78969779
2-[5-(ethylcarbamoyl)-2-nitroanilino]propanoic acid
CID 82988342
N-ethyl-2-(2-methyl-5-nitroanilino)propanamide
CID 55023374
methyl 2-(5-bromo-2-nitroanilino)-3-methylbutanoate
CID 65341391
2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide
CID 79535149
2-(2-amino-4-nitroanilino)-N-ethylpropanamide
CID 62508456
3-(5-bromo-2-nitroanilino)-2-methylpropanoic acid
CID 65341666
N-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide
CID 61480339

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-nitroanilino)-N-ethylpropanamide?
The IUPAC name of 2-(5-bromo-2-nitroanilino)-N-ethylpropanamide (CID 65341502) is 2-(5-bromo-2-nitroanilino)-N-ethylpropanamide.
What is the SMILES notation for 2-(5-bromo-2-nitroanilino)-N-ethylpropanamide?
The canonical SMILES for 2-(5-bromo-2-nitroanilino)-N-ethylpropanamide is CCNC(=O)C(C)Nc1cc(Br)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(5-bromo-2-nitroanilino)-N-ethylpropanamide?
The InChIKey is FAVNHKAOOQWVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3/c1-3-13-11(16)7(2)14-9-6-8(12)4-5-10(9)15(17)18/h4-7,14H,3H2,1-2H3,(H,13,16).
What are the key properties of 2-(5-bromo-2-nitroanilino)-N-ethylpropanamide?
2-(5-bromo-2-nitroanilino)-N-ethylpropanamide has a molecular weight of 316.16 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-nitroanilino)-N-ethylpropanamide is sourced from PubChem (CID 65341502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).