4-acetamido-N-[(4-nitrophenyl)methyl]benzamide

C16H15N3O4 — CID 60535872

IUPAC4-acetamido-N-[(4-nitrophenyl)methyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H15N3O4/c1-11(20)18-14-6-4-13(5-7-14)16(21)17-10-12-2-8-15(9-3-12)19(22)23/h2-9H,10H2,1H3,(H,17,21)(H,18,20)
InChIKeyIHCHPKJHBVVJNB-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.48
Rot. Bonds5

About 4-acetamido-N-[(4-nitrophenyl)methyl]benzamide

4-acetamido-N-[(4-nitrophenyl)methyl]benzamide (PubChem CID 60535872) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-acetamido-N-[(4-nitrophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(4-nitrophenyl)methyl]benzamide
PubChem CID60535872
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name4-acetamido-N-[(4-nitrophenyl)methyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H15N3O4/c1-11(20)18-14-6-4-13(5-7-14)16(21)17-10-12-2-8-15(9-3-12)19(22)23/h2-9H,10H2,1H3,(H,17,21)(H,18,20)
InChIKeyIHCHPKJHBVVJNB-UHFFFAOYSA-N
XLogP2.48
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.48
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-[(4-ethylphenyl)methyl]-4-nitrobenzamide
CID 71822483
4-(acetamidomethyl)-N-[2-(4-nitroanilino)ethyl]benzamide
CID 46415597
N-[(4-fluorophenyl)methyl]-4-nitrobenzamide
CID 1101313
N-benzyl-4-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 43887414
4-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 2164802
N-[(4-nitrophenyl)methyl]-4-sulfamoylbenzamide
CID 10314877
4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574288
2-(4-acetamidophenyl)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 14180969
N-benzyl-4-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 28639887
N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 8006630
4-(aminomethyl)-N-(4-nitrophenyl)benzamide
CID 43426870
4-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 32627467

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(4-nitrophenyl)methyl]benzamide?
The IUPAC name of 4-acetamido-N-[(4-nitrophenyl)methyl]benzamide (CID 60535872) is 4-acetamido-N-[(4-nitrophenyl)methyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[(4-nitrophenyl)methyl]benzamide?
The canonical SMILES for 4-acetamido-N-[(4-nitrophenyl)methyl]benzamide is CC(=O)Nc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-acetamido-N-[(4-nitrophenyl)methyl]benzamide?
The InChIKey is IHCHPKJHBVVJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-11(20)18-14-6-4-13(5-7-14)16(21)17-10-12-2-8-15(9-3-12)19(22)23/h2-9H,10H2,1H3,(H,17,21)(H,18,20).
What are the key properties of 4-acetamido-N-[(4-nitrophenyl)methyl]benzamide?
4-acetamido-N-[(4-nitrophenyl)methyl]benzamide has a molecular weight of 313.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(4-nitrophenyl)methyl]benzamide is sourced from PubChem (CID 60535872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).