N-(2-anilino-2-oxo-1-phenylethyl)-3,4,5-trimethoxy-2-nitrobenzamide

C24H23N3O7 — CID 55779332

IUPACN-(2-anilino-2-oxo-1-phenylethyl)-3,4,5-trimethoxy-2-nitrobenzamide
SMILESCOc1cc(C(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)c([N+](=O)[O-])c(OC)c1OC
InChIInChI=1S/C24H23N3O7/c1-32-18-14-17(20(27(30)31)22(34-3)21(18)33-2)23(28)26-19(15-10-6-4-7-11-15)24(29)25-16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,29)(H,26,28)
InChIKeyZBPVOSJHSHGHPG-UHFFFAOYSA-N
MW465.46 g/mol
LogP3.73
Rot. Bonds9

About N-(2-anilino-2-oxo-1-phenylethyl)-3,4,5-trimethoxy-2-nitrobenzamide

N-(2-anilino-2-oxo-1-phenylethyl)-3,4,5-trimethoxy-2-nitrobenzamide (PubChem CID 55779332) has the molecular formula C24H23N3O7 and a molecular weight of 465.46 g/mol. Its IUPAC name is N-(2-anilino-2-oxo-1-phenylethyl)-3,4,5-trimethoxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxo-1-phenylethyl)-3,4,5-trimethoxy-2-nitrobenzamide
PubChem CID55779332
Molecular FormulaC24H23N3O7
Molecular Weight465.46 g/mol
Exact Mass465.15
IUPAC NameN-(2-anilino-2-oxo-1-phenylethyl)-3,4,5-trimethoxy-2-nitrobenzamide
SMILESCOc1cc(C(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)c([N+](=O)[O-])c(OC)c1OC
InChIInChI=1S/C24H23N3O7/c1-32-18-14-17(20(27(30)31)22(34-3)21(18)33-2)23(28)26-19(15-10-6-4-7-11-15)24(29)25-16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,29)(H,26,28)
InChIKeyZBPVOSJHSHGHPG-UHFFFAOYSA-N
XLogP3.73
TPSA129.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-anilino-2-oxo-1-phenylethyl)-3,4,5-trimethoxy-2-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-[1-(3-acetamidophenyl)ethyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 55585807
N-(2-anilino-2-oxo-1-phenylethyl)-4-methoxy-3-nitrobenzamide
CID 55778948
N-(2-benzamidophenyl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 55923891
N-[1-(2-fluorophenyl)ethyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 46654013
N-(3-acetylphenyl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 18089461
3,4,5-trimethoxy-N-methyl-2-nitrobenzamide
CID 46786337
N-[2-[(4-chlorobenzoyl)amino]phenyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 55881315
N-[(Z)-benzylideneamino]-3,4,5-trimethoxy-2-nitrobenzamide
CID 5434191
N-(3,5-difluorophenyl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 27055163
3,4,5-trimethoxy-N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide
CID 24552848
3,4,5-trimethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-nitrobenzamide
CID 56552794
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 18143591

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxo-1-phenylethyl)-3,4,5-trimethoxy-2-nitrobenzamide?
The IUPAC name of N-(2-anilino-2-oxo-1-phenylethyl)-3,4,5-trimethoxy-2-nitrobenzamide (CID 55779332) is N-(2-anilino-2-oxo-1-phenylethyl)-3,4,5-trimethoxy-2-nitrobenzamide.
What is the SMILES notation for N-(2-anilino-2-oxo-1-phenylethyl)-3,4,5-trimethoxy-2-nitrobenzamide?
The canonical SMILES for N-(2-anilino-2-oxo-1-phenylethyl)-3,4,5-trimethoxy-2-nitrobenzamide is COc1cc(C(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)c([N+](=O)[O-])c(OC)c1OC.
What is the InChIKey of N-(2-anilino-2-oxo-1-phenylethyl)-3,4,5-trimethoxy-2-nitrobenzamide?
The InChIKey is ZBPVOSJHSHGHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O7/c1-32-18-14-17(20(27(30)31)22(34-3)21(18)33-2)23(28)26-19(15-10-6-4-7-11-15)24(29)25-16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,29)(H,26,28).
What are the key properties of N-(2-anilino-2-oxo-1-phenylethyl)-3,4,5-trimethoxy-2-nitrobenzamide?
N-(2-anilino-2-oxo-1-phenylethyl)-3,4,5-trimethoxy-2-nitrobenzamide has a molecular weight of 465.46 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxo-1-phenylethyl)-3,4,5-trimethoxy-2-nitrobenzamide is sourced from PubChem (CID 55779332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).