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

C21H23ClN2O2 — CID 109044439

IUPAC1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C21H23ClN2O2/c22-18-11-5-15(6-12-18)13-14-23-20(25)16-7-9-17(10-8-16)21(26)24-19-3-1-2-4-19/h5-12,19H,1-4,13-14H2,(H,23,25)(H,24,26)
InChIKeyVKTBXGQXHLLKGB-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.98
Rot. Bonds6

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

1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide (PubChem CID 109044439) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide
PubChem CID109044439
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C21H23ClN2O2/c22-18-11-5-15(6-12-18)13-14-23-20(25)16-7-9-17(10-8-16)21(26)24-19-3-1-2-4-19/h5-12,19H,1-4,13-14H2,(H,23,25)(H,24,26)
InChIKeyVKTBXGQXHLLKGB-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081545
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
4-[(4-chlorophenoxy)methyl]-N-cyclopentylbenzamide
CID 9214566
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
4-N-cyclopentyl-1-N-propylbenzene-1,4-dicarboxamide
CID 109042876
N-[2-(4-chlorophenyl)ethyl]-4-[[1-[2-(cyclopentylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 46247428
N-cyclopentyl-4-(hydroxymethyl)benzamide
CID 60636896
4-butyl-N-cyclopentylbenzamide
CID 60674795

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide (CID 109044439) is 1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide is O=C(NCCc1ccc(Cl)cc1)c1ccc(C(=O)NC2CCCC2)cc1.
What is the InChIKey of 1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide?
The InChIKey is VKTBXGQXHLLKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-18-11-5-15(6-12-18)13-14-23-20(25)16-7-9-17(10-8-16)21(26)24-19-3-1-2-4-19/h5-12,19H,1-4,13-14H2,(H,23,25)(H,24,26).
What are the key properties of 1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide?
1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide has a molecular weight of 370.88 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109044439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).