1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide

C20H23ClN2O2 — CID 109043698

IUPAC1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
SMILESCCCCNC(=O)c1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-2-3-13-22-19(24)16-6-8-17(9-7-16)20(25)23-14-12-15-4-10-18(21)11-5-15/h4-11H,2-3,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyOADACMBSDNKVER-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.84
Rot. Bonds8

About 1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide

1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide (PubChem CID 109043698) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
PubChem CID109043698
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
SMILESCCCCNC(=O)c1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-2-3-13-22-19(24)16-6-8-17(9-7-16)20(25)23-14-12-15-4-10-18(21)11-5-15/h4-11H,2-3,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyOADACMBSDNKVER-UHFFFAOYSA-N
XLogP3.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide
CID 109106595
2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109079423
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
N-pentyl-4-propylbenzamide
CID 70894308
N-hexyl-4-propylbenzamide
CID 70894310
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088529
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27256594
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 17432466
N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 42064223
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide (CID 109043698) is 1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide is CCCCNC(=O)c1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is OADACMBSDNKVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-2-3-13-22-19(24)16-6-8-17(9-7-16)20(25)23-14-12-15-4-10-18(21)11-5-15/h4-11H,2-3,12-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide?
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 358.87 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109043698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).