1-[4-[1-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]ethyl]phenyl]triazole-4-carboxamide

C23H24ClN5O2 — CID 56829402

IUPAC1-[4-[1-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]ethyl]phenyl]triazole-4-carboxamide
SMILESCC(NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccc(-n2cc(C(N)=O)nn2)cc1
InChIInChI=1S/C23H24ClN5O2/c1-15(16-4-10-19(11-5-16)29-14-20(21(25)30)27-28-29)26-22(31)23(12-2-3-13-23)17-6-8-18(24)9-7-17/h4-11,14-15H,2-3,12-13H2,1H3,(H2,25,30)(H,26,31)
InChIKeyGFPIHWROWPBTOW-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.71
Rot. Bonds6

About 1-[4-[1-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]ethyl]phenyl]triazole-4-carboxamide

1-[4-[1-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]ethyl]phenyl]triazole-4-carboxamide (PubChem CID 56829402) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is 1-[4-[1-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]ethyl]phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[1-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]ethyl]phenyl]triazole-4-carboxamide
PubChem CID56829402
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name1-[4-[1-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]ethyl]phenyl]triazole-4-carboxamide
SMILESCC(NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccc(-n2cc(C(N)=O)nn2)cc1
InChIInChI=1S/C23H24ClN5O2/c1-15(16-4-10-19(11-5-16)29-14-20(21(25)30)27-28-29)26-22(31)23(12-2-3-13-23)17-6-8-18(24)9-7-17/h4-11,14-15H,2-3,12-13H2,1H3,(H2,25,30)(H,26,31)
InChIKeyGFPIHWROWPBTOW-UHFFFAOYSA-N
XLogP3.71
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]ethyl]phenyl]triazole-4-carboxamide?
The IUPAC name of 1-[4-[1-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]ethyl]phenyl]triazole-4-carboxamide (CID 56829402) is 1-[4-[1-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]ethyl]phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[4-[1-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]ethyl]phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-[4-[1-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]ethyl]phenyl]triazole-4-carboxamide is CC(NC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccc(-n2cc(C(N)=O)nn2)cc1.
What is the InChIKey of 1-[4-[1-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]ethyl]phenyl]triazole-4-carboxamide?
The InChIKey is GFPIHWROWPBTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-15(16-4-10-19(11-5-16)29-14-20(21(25)30)27-28-29)26-22(31)23(12-2-3-13-23)17-6-8-18(24)9-7-17/h4-11,14-15H,2-3,12-13H2,1H3,(H2,25,30)(H,26,31).
What are the key properties of 1-[4-[1-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]ethyl]phenyl]triazole-4-carboxamide?
1-[4-[1-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]ethyl]phenyl]triazole-4-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]ethyl]phenyl]triazole-4-carboxamide is sourced from PubChem (CID 56829402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).