4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide

C19H20Cl2N2O2 — CID 27838626

IUPAC4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c20-16-8-6-15(7-9-16)19(25)23-11-2-5-18(24)22-12-10-14-3-1-4-17(21)13-14/h1,3-4,6-9,13H,2,5,10-12H2,(H,22,24)(H,23,25)
InChIKeyOPXPTQUUJSQVMC-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.86
Rot. Bonds8

About 4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide

4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide (PubChem CID 27838626) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide
PubChem CID27838626
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C19H20Cl2N2O2/c20-16-8-6-15(7-9-16)19(25)23-11-2-5-18(24)22-12-10-14-3-1-4-17(21)13-14/h1,3-4,6-9,13H,2,5,10-12H2,(H,22,24)(H,23,25)
InChIKeyOPXPTQUUJSQVMC-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 4-chloro-N-[4-[2-(3-chlorophenyl)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

N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27256594
6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 17432466
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 46650943
N-[3-(3-chlorophenyl)propyl]pentanamide
CID 10562858
4-chloro-N-[4-oxo-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]butyl]benzamide
CID 26081615

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide (CID 27838626) is 4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccc(Cl)cc1)NCCc1cccc(Cl)c1.
What is the InChIKey of 4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide?
The InChIKey is OPXPTQUUJSQVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c20-16-8-6-15(7-9-16)19(25)23-11-2-5-18(24)22-12-10-14-3-1-4-17(21)13-14/h1,3-4,6-9,13H,2,5,10-12H2,(H,22,24)(H,23,25).
What are the key properties of 4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide?
4-chloro-N-[4-[2-(3-chlorophenyl)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 4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 27838626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).