3-anilino-1-(3-nitrophenyl)propan-1-one

C15H14N2O3 — CID 877450

IUPAC3-anilino-1-(3-nitrophenyl)propan-1-one
SMILESO=C(CCNc1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O3/c18-15(9-10-16-13-6-2-1-3-7-13)12-5-4-8-14(11-12)17(19)20/h1-8,11,16H,9-10H2
InChIKeyHZWOIIAHZHTTNX-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.28
Rot. Bonds6

About 3-anilino-1-(3-nitrophenyl)propan-1-one

3-anilino-1-(3-nitrophenyl)propan-1-one (PubChem CID 877450) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-anilino-1-(3-nitrophenyl)propan-1-one.

Molecular Properties

Compound Name3-anilino-1-(3-nitrophenyl)propan-1-one
PubChem CID877450
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-anilino-1-(3-nitrophenyl)propan-1-one
SMILESO=C(CCNc1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O3/c18-15(9-10-16-13-6-2-1-3-7-13)12-5-4-8-14(11-12)17(19)20/h1-8,11,16H,9-10H2
InChIKeyHZWOIIAHZHTTNX-UHFFFAOYSA-N
XLogP3.28
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-(3-nitrophenyl)propan-1-one?
The IUPAC name of 3-anilino-1-(3-nitrophenyl)propan-1-one (CID 877450) is 3-anilino-1-(3-nitrophenyl)propan-1-one.
What is the SMILES notation for 3-anilino-1-(3-nitrophenyl)propan-1-one?
The canonical SMILES for 3-anilino-1-(3-nitrophenyl)propan-1-one is O=C(CCNc1ccccc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-anilino-1-(3-nitrophenyl)propan-1-one?
The InChIKey is HZWOIIAHZHTTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(9-10-16-13-6-2-1-3-7-13)12-5-4-8-14(11-12)17(19)20/h1-8,11,16H,9-10H2.
What are the key properties of 3-anilino-1-(3-nitrophenyl)propan-1-one?
3-anilino-1-(3-nitrophenyl)propan-1-one has a molecular weight of 270.29 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-(3-nitrophenyl)propan-1-one is sourced from PubChem (CID 877450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).