2-(4-nitroanilino)propanamide

C9H11N3O3 — CID 43400796

IUPAC2-(4-nitroanilino)propanamide
SMILESCC(Nc1ccc([N+](=O)[O-])cc1)C(N)=O
InChIInChI=1S/C9H11N3O3/c1-6(9(10)13)11-7-2-4-8(5-3-7)12(14)15/h2-6,11H,1H3,(H2,10,13)
InChIKeyBBIWMZKKIHDNLG-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.88
Rot. Bonds4

About 2-(4-nitroanilino)propanamide

2-(4-nitroanilino)propanamide (PubChem CID 43400796) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-(4-nitroanilino)propanamide.

Molecular Properties

Compound Name2-(4-nitroanilino)propanamide
PubChem CID43400796
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name2-(4-nitroanilino)propanamide
SMILESCC(Nc1ccc([N+](=O)[O-])cc1)C(N)=O
InChIInChI=1S/C9H11N3O3/c1-6(9(10)13)11-7-2-4-8(5-3-7)12(14)15/h2-6,11H,1H3,(H2,10,13)
InChIKeyBBIWMZKKIHDNLG-UHFFFAOYSA-N
XLogP0.88
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.88
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

(2S)-2-(4-nitroanilino)propanoic acid;hydrochloride
CID 69175766
tert-butyl 2-(4-nitroanilino)propanoate
CID 58596136
2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide
CID 32737357
2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 43402589
dimethyl 2-(4-nitroanilino)propanedioate
CID 71335725
2-[(4-nitrophenyl)methylamino]propanamide
CID 43402378
2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide
CID 47005812
3-methyl-2-(4-nitroanilino)butanoic acid
CID 16769246
N-[(2S)-3-methylbutan-2-yl]-4-nitroaniline
CID 28826145
2-(4-chloroanilino)propanamide
CID 43085931
2-[(5-nitropyrimidin-2-yl)amino]propanamide
CID 61147205
(3S)-4-amino-3-(4-nitroanilino)-4-oxobutanoic acid;hydrochloride
CID 170988161

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitroanilino)propanamide?
The IUPAC name of 2-(4-nitroanilino)propanamide (CID 43400796) is 2-(4-nitroanilino)propanamide.
What is the SMILES notation for 2-(4-nitroanilino)propanamide?
The canonical SMILES for 2-(4-nitroanilino)propanamide is CC(Nc1ccc([N+](=O)[O-])cc1)C(N)=O.
What is the InChIKey of 2-(4-nitroanilino)propanamide?
The InChIKey is BBIWMZKKIHDNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-6(9(10)13)11-7-2-4-8(5-3-7)12(14)15/h2-6,11H,1H3,(H2,10,13).
What are the key properties of 2-(4-nitroanilino)propanamide?
2-(4-nitroanilino)propanamide has a molecular weight of 209.21 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitroanilino)propanamide is sourced from PubChem (CID 43400796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).