4-nitro-N-(1-phenylpropan-2-yl)benzamide

C16H16N2O3 — CID 3104539

IUPAC4-nitro-N-(1-phenylpropan-2-yl)benzamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O3/c1-12(11-13-5-3-2-4-6-13)17-16(19)14-7-9-15(10-8-14)18(20)21/h2-10,12H,11H2,1H3,(H,17,19)
InChIKeyWSOFZTPROZAPPA-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.96
Rot. Bonds5

About 4-nitro-N-(1-phenylpropan-2-yl)benzamide

4-nitro-N-(1-phenylpropan-2-yl)benzamide (PubChem CID 3104539) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-nitro-N-(1-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-nitro-N-(1-phenylpropan-2-yl)benzamide
PubChem CID3104539
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-nitro-N-(1-phenylpropan-2-yl)benzamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O3/c1-12(11-13-5-3-2-4-6-13)17-16(19)14-7-9-15(10-8-14)18(20)21/h2-10,12H,11H2,1H3,(H,17,19)
InChIKeyWSOFZTPROZAPPA-UHFFFAOYSA-N
XLogP2.96
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-nitro-N-(1-phenylpropan-2-yl)benzamide?
The IUPAC name of 4-nitro-N-(1-phenylpropan-2-yl)benzamide (CID 3104539) is 4-nitro-N-(1-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 4-nitro-N-(1-phenylpropan-2-yl)benzamide?
The canonical SMILES for 4-nitro-N-(1-phenylpropan-2-yl)benzamide is CC(Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-(1-phenylpropan-2-yl)benzamide?
The InChIKey is WSOFZTPROZAPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-12(11-13-5-3-2-4-6-13)17-16(19)14-7-9-15(10-8-14)18(20)21/h2-10,12H,11H2,1H3,(H,17,19).
What are the key properties of 4-nitro-N-(1-phenylpropan-2-yl)benzamide?
4-nitro-N-(1-phenylpropan-2-yl)benzamide has a molecular weight of 284.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(1-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 3104539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).