N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide

C16H15ClN2O4 — CID 90623723

IUPACN-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide
SMILESCOC(CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O4/c1-23-15(11-6-2-4-8-13(11)17)10-18-16(20)12-7-3-5-9-14(12)19(21)22/h2-9,15H,10H2,1H3,(H,18,20)
InChIKeyRBKGPUMXKKAVOS-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.37
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide

N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide (PubChem CID 90623723) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide
PubChem CID90623723
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide
SMILESCOC(CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O4/c1-23-15(11-6-2-4-8-13(11)17)10-18-16(20)12-7-3-5-9-14(12)19(21)22/h2-9,15H,10H2,1H3,(H,18,20)
InChIKeyRBKGPUMXKKAVOS-UHFFFAOYSA-N
XLogP3.37
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.37
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-[2-(2-chlorophenyl)-2-methoxyethyl]-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]-4,5-dimethoxy-2-nitrobenzamide
CID 90623793
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-methyl-4-nitrobenzamide
CID 90623742
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 90598746
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 90623724
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide
CID 90623752
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methyl-3-nitrobenzamide
CID 42910730
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99634092
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-nitrobenzamide
CID 78799511
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methyl-3-nitrobenzamide
CID 121180131
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide
CID 99593692
5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90622984

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide (CID 90623723) is N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide is COC(CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide?
The InChIKey is RBKGPUMXKKAVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-23-15(11-6-2-4-8-13(11)17)10-18-16(20)12-7-3-5-9-14(12)19(21)22/h2-9,15H,10H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide?
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide has a molecular weight of 334.76 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide is sourced from PubChem (CID 90623723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).