N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide

C16H15N3O4 — CID 675941

IUPACN-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide
SMILESCC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H15N3O4/c1-11(20)18(2)14-9-5-13(6-10-14)17-16(21)12-3-7-15(8-4-12)19(22)23/h3-10H,1-2H3,(H,17,21)
InChIKeyBCHQFRLUOTUKRZ-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.83
Rot. Bonds4

About N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide

N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide (PubChem CID 675941) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide
PubChem CID675941
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide
SMILESCC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H15N3O4/c1-11(20)18(2)14-9-5-13(6-10-14)17-16(21)12-3-7-15(8-4-12)19(22)23/h3-10H,1-2H3,(H,17,21)
InChIKeyBCHQFRLUOTUKRZ-UHFFFAOYSA-N
XLogP2.83
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
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'}

Analyze N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide
CID 46761786
N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide
CID 4824063
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide
CID 3250699
N-[4-(dimethylsulfamoyl)phenyl]-4-nitrobenzamide
CID 2672860
N-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide
CID 86857816
N-[4-[acetyl(methyl)amino]phenyl]-4-methoxybenzamide
CID 730548
4-(ethylamino)-N-(4-nitrophenyl)benzamide
CID 62165605
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
4-(2,2-dimethylpropanoylamino)-N-(4-nitrophenyl)benzamide
CID 2866891
N-[3-[acetyl(methyl)amino]phenyl]-3,5-dinitrobenzamide
CID 46761797
4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3289474
N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-nitrobenzamide
CID 5109198

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide (CID 675941) is N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide is CC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide?
The InChIKey is BCHQFRLUOTUKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-11(20)18(2)14-9-5-13(6-10-14)17-16(21)12-3-7-15(8-4-12)19(22)23/h3-10H,1-2H3,(H,17,21).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide?
N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide has a molecular weight of 313.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide is sourced from PubChem (CID 675941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).