N-(3-nitrophenyl)-4-phenylbutanamide

C16H16N2O3 — CID 885889

IUPACN-(3-nitrophenyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O3/c19-16(11-4-8-13-6-2-1-3-7-13)17-14-9-5-10-15(12-14)18(20)21/h1-3,5-7,9-10,12H,4,8,11H2,(H,17,19)
InChIKeyIBPOYKXQXZSYSI-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.56
Rot. Bonds6

About N-(3-nitrophenyl)-4-phenylbutanamide

N-(3-nitrophenyl)-4-phenylbutanamide (PubChem CID 885889) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(3-nitrophenyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-4-phenylbutanamide
PubChem CID885889
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-(3-nitrophenyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O3/c19-16(11-4-8-13-6-2-1-3-7-13)17-14-9-5-10-15(12-14)18(20)21/h1-3,5-7,9-10,12H,4,8,11H2,(H,17,19)
InChIKeyIBPOYKXQXZSYSI-UHFFFAOYSA-N
XLogP3.56
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.56
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 N-(3-nitrophenyl)-4-phenylbutanamide?
The IUPAC name of N-(3-nitrophenyl)-4-phenylbutanamide (CID 885889) is N-(3-nitrophenyl)-4-phenylbutanamide.
What is the SMILES notation for N-(3-nitrophenyl)-4-phenylbutanamide?
The canonical SMILES for N-(3-nitrophenyl)-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-4-phenylbutanamide?
The InChIKey is IBPOYKXQXZSYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-16(11-4-8-13-6-2-1-3-7-13)17-14-9-5-10-15(12-14)18(20)21/h1-3,5-7,9-10,12H,4,8,11H2,(H,17,19).
What are the key properties of N-(3-nitrophenyl)-4-phenylbutanamide?
N-(3-nitrophenyl)-4-phenylbutanamide has a molecular weight of 284.32 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-4-phenylbutanamide is sourced from PubChem (CID 885889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).