N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide

C19H20Cl2N2O2 — CID 46650943

IUPACN-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N2O2/c20-16-9-8-14(17(21)13-16)10-12-22-18(24)7-4-11-23-19(25)15-5-2-1-3-6-15/h1-3,5-6,8-9,13H,4,7,10-12H2,(H,22,24)(H,23,25)
InChIKeyIQVJMSOAUBANLG-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.86
Rot. Bonds8

About N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide

N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide (PubChem CID 46650943) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide
PubChem CID46650943
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC NameN-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N2O2/c20-16-9-8-14(17(21)13-16)10-12-22-18(24)7-4-11-23-19(25)15-5-2-1-3-6-15/h1-3,5-6,8-9,13H,4,7,10-12H2,(H,22,24)(H,23,25)
InChIKeyIQVJMSOAUBANLG-UHFFFAOYSA-N
XLogP3.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide 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

4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide
CID 110309420
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 46809375
N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
CID 100608161
N-[3-[2-(2,4-dichlorophenyl)ethylamino]-3-oxopropyl]-4-nitrobenzamide
CID 9246410
4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27838626
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-(3-aminopropyl)-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119408221
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
CID 94001130
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide (CID 46650943) is N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccccc1)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide?
The InChIKey is IQVJMSOAUBANLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c20-16-9-8-14(17(21)13-16)10-12-22-18(24)7-4-11-23-19(25)15-5-2-1-3-6-15/h1-3,5-6,8-9,13H,4,7,10-12H2,(H,22,24)(H,23,25).
What are the key properties of N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide?
N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide has a molecular weight of 379.29 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 46650943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).