4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide

C16H15N3O4 — CID 78783914

IUPAC4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H15N3O4/c1-10-3-6-14(9-15(10)19(22)23)18-16(21)12-4-7-13(8-5-12)17-11(2)20/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyWSSPVKMGVOINBK-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.11
Rot. Bonds4

About 4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide

4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide (PubChem CID 78783914) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
PubChem CID78783914
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H15N3O4/c1-10-3-6-14(9-15(10)19(22)23)18-16(21)12-4-7-13(8-5-12)17-11(2)20/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyWSSPVKMGVOINBK-UHFFFAOYSA-N
XLogP3.11
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.11
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

4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 55633368
N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
CID 711327
4-methyl-N-[4-[[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3443089
4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonic acid
CID 3019589
N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide
CID 26576093
sodium 4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonate
CID 3019588
N-(4-methyl-3-nitrophenyl)-3-sulfanylbenzamide
CID 107021737
N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 779436
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-3-nitrobenzamide
CID 26774419
4-methyl-N-[(4-methyl-3-nitrophenyl)carbamothioyl]benzamide
CID 2198865
N-[4-[(3-chlorobenzoyl)amino]phenyl]-4-methyl-3-nitrobenzamide
CID 3765376

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide (CID 78783914) is 4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide is CC(=O)Nc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide?
The InChIKey is WSSPVKMGVOINBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-10-3-6-14(9-15(10)19(22)23)18-16(21)12-4-7-13(8-5-12)17-11(2)20/h3-9H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide?
4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide has a molecular weight of 313.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 78783914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).