N-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide

C16H14Cl2N2O3 — CID 2557905

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide
SMILESCc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H14Cl2N2O3/c1-10-8-12(3-5-15(10)20(22)23)16(21)19-7-6-11-2-4-13(17)9-14(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,21)
InChIKeyGQJSOYCZCVFVEF-UHFFFAOYSA-N
MW353.21 g/mol
LogP4.18
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide

N-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide (PubChem CID 2557905) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide
PubChem CID2557905
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide
SMILESCc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H14Cl2N2O3/c1-10-8-12(3-5-15(10)20(22)23)16(21)19-7-6-11-2-4-13(17)9-14(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,21)
InChIKeyGQJSOYCZCVFVEF-UHFFFAOYSA-N
XLogP4.18
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-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-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
N-[3-[2-(2,4-dichlorophenyl)ethylamino]-3-oxopropyl]-4-nitrobenzamide
CID 9246410
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-methyl-4-nitrobenzamide
CID 4783926
N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
CID 73388060
N'-(2,5-dichlorobenzoyl)-3-methyl-4-nitrobenzohydrazide
CID 7910668
N-(3-chlorobutyl)-3-methyl-4-nitrobenzamide
CID 114301822
4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 81295924
ethyl 4-[2-[[4-(4-chlorophenyl)benzoyl]amino]ethyl]-3-nitrobenzoate
CID 67551448
3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide
CID 104851790
3-methyl-4-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 1346453
2-[(3-methyl-4-nitrobenzoyl)amino]acetate
CID 2404866
N-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-3-nitroaniline
CID 63536591

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide (CID 2557905) is N-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide is Cc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide?
The InChIKey is GQJSOYCZCVFVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-10-8-12(3-5-15(10)20(22)23)16(21)19-7-6-11-2-4-13(17)9-14(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,21).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide?
N-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide has a molecular weight of 353.21 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide is sourced from PubChem (CID 2557905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).