5-(2-bromo-4-nitroanilino)pentanamide

C11H14BrN3O3 — CID 114162448

IUPAC5-(2-bromo-4-nitroanilino)pentanamide
SMILESNC(=O)CCCCNc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C11H14BrN3O3/c12-9-7-8(15(17)18)4-5-10(9)14-6-2-1-3-11(13)16/h4-5,7,14H,1-3,6H2,(H2,13,16)
InChIKeyUPFOYCCZIJHFIZ-UHFFFAOYSA-N
MW316.15 g/mol
LogP2.42
Rot. Bonds7

About 5-(2-bromo-4-nitroanilino)pentanamide

5-(2-bromo-4-nitroanilino)pentanamide (PubChem CID 114162448) has the molecular formula C11H14BrN3O3 and a molecular weight of 316.15 g/mol. Its IUPAC name is 5-(2-bromo-4-nitroanilino)pentanamide.

Molecular Properties

Compound Name5-(2-bromo-4-nitroanilino)pentanamide
PubChem CID114162448
Molecular FormulaC11H14BrN3O3
Molecular Weight316.15 g/mol
Exact Mass315.02
IUPAC Name5-(2-bromo-4-nitroanilino)pentanamide
SMILESNC(=O)CCCCNc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C11H14BrN3O3/c12-9-7-8(15(17)18)4-5-10(9)14-6-2-1-3-11(13)16/h4-5,7,14H,1-3,6H2,(H2,13,16)
InChIKeyUPFOYCCZIJHFIZ-UHFFFAOYSA-N
XLogP2.42
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(2-bromo-4-nitroanilino)butanoate
CID 64579336
6-(4-nitro-2-sulfamoylanilino)hexanoic acid
CID 44586646
2-bromo-N-(2-ethylsulfonylethyl)-4-nitroaniline
CID 114111392
2-bromo-4-nitro-N-(2-phenylethyl)aniline
CID 2767749
3-(2-bromo-5-nitroanilino)propanoic acid
CID 82316599
7-(2-cyano-4-nitroanilino)heptanoic acid
CID 24695067
5-(5-cyano-2-nitroanilino)pentanamide
CID 106239115
5-nitro-2-(pentylamino)benzoic acid
CID 29269659
2-bromo-N-(2-ethylbutyl)-4-nitroaniline
CID 43742267
N'-(2-bromo-4-nitrophenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 83030287
2-bromo-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-nitroaniline
CID 133347618
2-bromo-N-(2,3-dimethylbutyl)-4-nitroaniline
CID 64598369

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-nitroanilino)pentanamide?
The IUPAC name of 5-(2-bromo-4-nitroanilino)pentanamide (CID 114162448) is 5-(2-bromo-4-nitroanilino)pentanamide.
What is the SMILES notation for 5-(2-bromo-4-nitroanilino)pentanamide?
The canonical SMILES for 5-(2-bromo-4-nitroanilino)pentanamide is NC(=O)CCCCNc1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of 5-(2-bromo-4-nitroanilino)pentanamide?
The InChIKey is UPFOYCCZIJHFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3/c12-9-7-8(15(17)18)4-5-10(9)14-6-2-1-3-11(13)16/h4-5,7,14H,1-3,6H2,(H2,13,16).
What are the key properties of 5-(2-bromo-4-nitroanilino)pentanamide?
5-(2-bromo-4-nitroanilino)pentanamide has a molecular weight of 316.15 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-nitroanilino)pentanamide is sourced from PubChem (CID 114162448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).