N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide

C18H19ClN2O6 — CID 90623793

IUPACN-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide
SMILESCOc1cc(C(=O)NCC(OC)c2ccccc2Cl)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C18H19ClN2O6/c1-25-15-8-12(14(21(23)24)9-16(15)26-2)18(22)20-10-17(27-3)11-6-4-5-7-13(11)19/h4-9,17H,10H2,1-3H3,(H,20,22)
InChIKeyNLNKQTKATAWKQZ-UHFFFAOYSA-N
MW394.81 g/mol
LogP3.38
Rot. Bonds8

About N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide

N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide (PubChem CID 90623793) has the molecular formula C18H19ClN2O6 and a molecular weight of 394.81 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide
PubChem CID90623793
Molecular FormulaC18H19ClN2O6
Molecular Weight394.81 g/mol
Exact Mass394.09
IUPAC NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide
SMILESCOc1cc(C(=O)NCC(OC)c2ccccc2Cl)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C18H19ClN2O6/c1-25-15-8-12(14(21(23)24)9-16(15)26-2)18(22)20-10-17(27-3)11-6-4-5-7-13(11)19/h4-9,17H,10H2,1-3H3,(H,20,22)
InChIKeyNLNKQTKATAWKQZ-UHFFFAOYSA-N
XLogP3.38
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.81
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-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-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90623723
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-methyl-4-nitrobenzamide
CID 90623742
N-(2-hydroxy-3-phenylpropyl)-4,5-dimethoxy-2-nitrobenzamide
CID 90534423
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 41453308
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90623769
N-(2-amino-2-phenylethyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 119527730
4,5-dimethoxy-N-[2-(methylamino)propyl]-2-nitrobenzamide
CID 120833156
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 90623724
5-bromo-2-chloro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide
CID 90598056
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 25489476
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 90598746
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4,5-dimethoxy-2-nitrobenzamide
CID 30834319

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide (CID 90623793) is N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide is COc1cc(C(=O)NCC(OC)c2ccccc2Cl)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide?
The InChIKey is NLNKQTKATAWKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O6/c1-25-15-8-12(14(21(23)24)9-16(15)26-2)18(22)20-10-17(27-3)11-6-4-5-7-13(11)19/h4-9,17H,10H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide?
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide has a molecular weight of 394.81 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,5-dimethoxy-2-nitrobenzamide is sourced from PubChem (CID 90623793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).