2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide

C16H16N2O3 — CID 71188447

IUPAC2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide
SMILESCC(C)(C(N)=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O3/c1-16(2,15(17)19)12-9-7-11(8-10-12)13-5-3-4-6-14(13)18(20)21/h3-10H,1-2H3,(H2,17,19)
InChIKeyXYVBJXONVPWCAV-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.02
Rot. Bonds4

About 2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide

2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide (PubChem CID 71188447) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide
PubChem CID71188447
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide
SMILESCC(C)(C(N)=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O3/c1-16(2,15(17)19)12-9-7-11(8-10-12)13-5-3-4-6-14(13)18(20)21/h3-10H,1-2H3,(H2,17,19)
InChIKeyXYVBJXONVPWCAV-UHFFFAOYSA-N
XLogP3.02
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.02
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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Related Compounds

2-methyl-2-[4-(2-nitrophenyl)phenyl]propanenitrile
CID 71188452
1-nitro-2-[4-(trifluoromethyl)phenyl]benzene
CID 22625277
4-[4-(2-nitrophenyl)phenyl]but-3-yn-2-one
CID 71188462
4-(2-nitrophenyl)benzenesulfonamide
CID 102354114
4-tert-butyl-2-nitro-1-phenylbenzene
CID 12541280
2-(3-ethenyl-4-nitrophenyl)-2-methylpropanamide
CID 174908369
ethyl 5-(4-tert-butylphenyl)-2-(2-nitrophenyl)-1H-pyrrole-3-carboxylate
CID 170695588
2-nitro-6-phenylbenzamide
CID 139649407
ethyl 4-[4-(2-nitrophenyl)phenyl]-4-oxobutanoate
CID 54507629
2-(2-methoxy-6-nitrophenyl)-2-methylpropanamide
CID 606095
2-hydroxy-4-(2-nitrophenyl)benzenesulfonic acid
CID 88697848
1,3-dimethyl-5-(2-nitrophenyl)benzene
CID 102025373

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide?
The IUPAC name of 2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide (CID 71188447) is 2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide?
The canonical SMILES for 2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide is CC(C)(C(N)=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide?
The InChIKey is XYVBJXONVPWCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-16(2,15(17)19)12-9-7-11(8-10-12)13-5-3-4-6-14(13)18(20)21/h3-10H,1-2H3,(H2,17,19).
What are the key properties of 2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide?
2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide has a molecular weight of 284.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide is sourced from PubChem (CID 71188447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).