2-(2-nitroanilino)-N-propylacetamide

C11H15N3O3 — CID 43398638

IUPAC2-(2-nitroanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-2-7-12-11(15)8-13-9-5-3-4-6-10(9)14(16)17/h3-6,13H,2,7-8H2,1H3,(H,12,15)
InChIKeyQBWBBXPXXNRAFU-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.53
Rot. Bonds6

About 2-(2-nitroanilino)-N-propylacetamide

2-(2-nitroanilino)-N-propylacetamide (PubChem CID 43398638) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(2-nitroanilino)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-nitroanilino)-N-propylacetamide
PubChem CID43398638
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(2-nitroanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-2-7-12-11(15)8-13-9-5-3-4-6-10(9)14(16)17/h3-6,13H,2,7-8H2,1H3,(H,12,15)
InChIKeyQBWBBXPXXNRAFU-UHFFFAOYSA-N
XLogP1.53
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.53
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

N-[2-(ethylamino)ethyl]-2-(2-nitroanilino)acetamide;hydrochloride
CID 119507792
N-(2-aminoethyl)-2-(2-nitroanilino)acetamide
CID 119384296
N-(3-hydroxybutyl)-2-(2-nitroanilino)acetamide
CID 111433406
2-(2-nitroanilino)-N-prop-2-ynylacetamide
CID 47401063
1-(2-nitrophenyl)-3-propylurea
CID 31682023
N-[2-(methylamino)propyl]-2-(2-nitroanilino)acetamide
CID 120826811
2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide
CID 112685108
3-nitro-2-[[2-oxo-2-(propylamino)ethyl]amino]benzoic acid
CID 115932186
N-(1-hydroxy-2-methylpropan-2-yl)-2-(2-nitroanilino)acetamide
CID 110000865
propyl 2-(2-nitroanilino)acetate
CID 175410298
2-(2-methyl-5-nitroanilino)-N-propylacetamide
CID 32894813
2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119536497

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitroanilino)-N-propylacetamide?
The IUPAC name of 2-(2-nitroanilino)-N-propylacetamide (CID 43398638) is 2-(2-nitroanilino)-N-propylacetamide.
What is the SMILES notation for 2-(2-nitroanilino)-N-propylacetamide?
The canonical SMILES for 2-(2-nitroanilino)-N-propylacetamide is CCCNC(=O)CNc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitroanilino)-N-propylacetamide?
The InChIKey is QBWBBXPXXNRAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-7-12-11(15)8-13-9-5-3-4-6-10(9)14(16)17/h3-6,13H,2,7-8H2,1H3,(H,12,15).
What are the key properties of 2-(2-nitroanilino)-N-propylacetamide?
2-(2-nitroanilino)-N-propylacetamide has a molecular weight of 237.26 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitroanilino)-N-propylacetamide is sourced from PubChem (CID 43398638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).