3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide

C21H25ClN2O2 — CID 109056265

IUPAC3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1cccc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C21H25ClN2O2/c1-2-3-4-12-23-20(25)17-8-6-9-18(15-17)21(26)24-13-11-16-7-5-10-19(22)14-16/h5-10,14-15H,2-4,11-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyKAMSKQPNFDVJQG-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.23
Rot. Bonds9

About 3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide

3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide (PubChem CID 109056265) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
PubChem CID109056265
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1cccc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C21H25ClN2O2/c1-2-3-4-12-23-20(25)17-8-6-9-18(15-17)21(26)24-13-11-16-7-5-10-19(22)14-16/h5-10,14-15H,2-4,11-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyKAMSKQPNFDVJQG-UHFFFAOYSA-N
XLogP4.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide 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-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
CID 143158267
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27838781
N-[2-(3-chlorophenyl)ethyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 25255713
5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 109224617
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299
N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide
CID 31251030
3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide
CID 109032115
N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 18114724
1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051094
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide (CID 109056265) is 3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide is CCCCCNC(=O)c1cccc(C(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of 3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide?
The InChIKey is KAMSKQPNFDVJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-2-3-4-12-23-20(25)17-8-6-9-18(15-17)21(26)24-13-11-16-7-5-10-19(22)14-16/h5-10,14-15H,2-4,11-13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide?
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide has a molecular weight of 372.90 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109056265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).