1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide

C20H23ClN2O2 — CID 109043911

IUPAC1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
SMILESCC(C)CNC(=O)c1ccc(C(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-14(2)13-23-20(25)17-8-6-16(7-9-17)19(24)22-11-10-15-4-3-5-18(21)12-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNSQGUQXRVKNUEO-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.70
Rot. Bonds7

About 1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide

1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide (PubChem CID 109043911) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
PubChem CID109043911
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
SMILESCC(C)CNC(=O)c1ccc(C(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-14(2)13-23-20(25)17-8-6-16(7-9-17)19(24)22-11-10-15-4-3-5-18(21)12-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNSQGUQXRVKNUEO-UHFFFAOYSA-N
XLogP3.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165762
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299
1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049117
N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
CID 143158267
4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27838626
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202005
4-[2-(3-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202931
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide
CID 56545147
N-[2-[[N-[2-(3-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111358335

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide (CID 109043911) is 1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide is CC(C)CNC(=O)c1ccc(C(=O)NCCc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide?
The InChIKey is NSQGUQXRVKNUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14(2)13-23-20(25)17-8-6-16(7-9-17)19(24)22-11-10-15-4-3-5-18(21)12-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide?
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide has a molecular weight of 358.87 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109043911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).