N-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide

C17H16Cl2N2O4 — CID 60599919

IUPACN-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)NCCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O4/c1-11-3-5-13(21(23)24)10-14(11)17(22)20-7-2-8-25-16-6-4-12(18)9-15(16)19/h3-6,9-10H,2,7-8H2,1H3,(H,20,22)
InChIKeyUGBASLKTXAUDPI-UHFFFAOYSA-N
MW383.23 g/mol
LogP4.41
Rot. Bonds7

About N-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide

N-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide (PubChem CID 60599919) has the molecular formula C17H16Cl2N2O4 and a molecular weight of 383.23 g/mol. Its IUPAC name is N-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide
PubChem CID60599919
Molecular FormulaC17H16Cl2N2O4
Molecular Weight383.23 g/mol
Exact Mass382.05
IUPAC NameN-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)NCCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O4/c1-11-3-5-13(21(23)24)10-14(11)17(22)20-7-2-8-25-16-6-4-12(18)9-15(16)19/h3-6,9-10H,2,7-8H2,1H3,(H,20,22)
InChIKeyUGBASLKTXAUDPI-UHFFFAOYSA-N
XLogP4.41
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-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-N-[3-(4-chloro-2-methylphenoxy)propyl]-4-nitrobenzamide
CID 60578430
2-chloro-4-nitro-N-[3-(2,3,5-trimethylphenoxy)propyl]benzamide
CID 8529071
4-chloro-N-[3-(4-chloro-2-methylphenoxy)propyl]-2-nitrobenzamide
CID 60578491
4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide
CID 2843072
2-(2,4-dichlorophenoxy)ethyl 2-chloro-5-nitrobenzoate
CID 7891622
2-chloro-N-[3-[(2-chloro-5-nitrobenzoyl)amino]propyl]-5-nitrobenzamide
CID 4119729
2-chloro-N-(4-methoxybutyl)-5-nitrobenzamide
CID 60789022
N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9269435
2-methyl-N-[3-(methylamino)propyl]-5-nitrobenzamide;hydrochloride
CID 119430057
4-(2,4-dichlorophenoxy)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]butanamide
CID 3247617
N-(5-chloro-4-methylpentyl)-2-methyl-5-nitrobenzamide
CID 106156713
3-(2-chloro-4-nitrophenoxy)-N-ethylpropan-1-amine
CID 29015240

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide?
The IUPAC name of N-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide (CID 60599919) is N-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide.
What is the SMILES notation for N-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide?
The canonical SMILES for N-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide is Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide?
The InChIKey is UGBASLKTXAUDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4/c1-11-3-5-13(21(23)24)10-14(11)17(22)20-7-2-8-25-16-6-4-12(18)9-15(16)19/h3-6,9-10H,2,7-8H2,1H3,(H,20,22).
What are the key properties of N-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide?
N-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide has a molecular weight of 383.23 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide is sourced from PubChem (CID 60599919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).