2-chloro-N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-nitrobenzamide

C17H16Cl2N2O4 — CID 90599943

IUPAC2-chloro-N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-nitrobenzamide
SMILESCOC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O4/c1-17(25-2,11-4-3-5-12(18)8-11)10-20-16(22)14-7-6-13(21(23)24)9-15(14)19/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyFNRDXPCNWUQEMP-UHFFFAOYSA-N
MW383.23 g/mol
LogP4.19
Rot. Bonds6

About 2-chloro-N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-nitrobenzamide

2-chloro-N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-nitrobenzamide (PubChem CID 90599943) has the molecular formula C17H16Cl2N2O4 and a molecular weight of 383.23 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-nitrobenzamide
PubChem CID90599943
Molecular FormulaC17H16Cl2N2O4
Molecular Weight383.23 g/mol
Exact Mass382.05
IUPAC Name2-chloro-N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-nitrobenzamide
SMILESCOC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C17H16Cl2N2O4/c1-17(25-2,11-4-3-5-12(18)8-11)10-20-16(22)14-7-6-13(21(23)24)9-15(14)19/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyFNRDXPCNWUQEMP-UHFFFAOYSA-N
XLogP4.19
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 54.19
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 2-chloro-N-[2-(3-chlorophenyl)-2-methoxypropyl]-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

2-chloro-4-nitro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90498003
2-chloro-N-(3,3-dimethylbutyl)-4-nitrobenzamide
CID 34710035
N-(2-amino-2-ethylbutyl)-2-chloro-4-nitrobenzamide;hydrochloride
CID 119640742
N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide
CID 90599834
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide
CID 90599881
N-(1-amino-2-methylpropan-2-yl)-2-chloro-4-nitrobenzamide
CID 119522293
3-[(2-chloro-5-nitrobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427112
2-chloro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-4-nitrobenzamide
CID 90605057
methyl 3-[(2-chloro-4-nitrobenzoyl)amino]-2-hydroxypropanoate
CID 103879220
2-chloro-N-[2-(methylamino)ethyl]-4-nitrobenzamide
CID 119501030
N-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
CID 129398707
2-chloro-N-(3-methoxy-2-methylpropyl)-4-nitrobenzamide
CID 47080227

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-nitrobenzamide (CID 90599943) is 2-chloro-N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-nitrobenzamide is COC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-nitrobenzamide?
The InChIKey is FNRDXPCNWUQEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4/c1-17(25-2,11-4-3-5-12(18)8-11)10-20-16(22)14-7-6-13(21(23)24)9-15(14)19/h3-9H,10H2,1-2H3,(H,20,22).
What are the key properties of 2-chloro-N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-nitrobenzamide?
2-chloro-N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-nitrobenzamide has a molecular weight of 383.23 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-nitrobenzamide is sourced from PubChem (CID 90599943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).