N-[1-(3-chlorophenyl)cyclopentyl]-5-phenyl-2H-triazole-4-carboxamide

C20H19ClN4O — CID 166245513

IUPACN-[1-(3-chlorophenyl)cyclopentyl]-5-phenyl-2H-triazole-4-carboxamide
SMILESO=C(NC1(c2cccc(Cl)c2)CCCC1)c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C20H19ClN4O/c21-16-10-6-9-15(13-16)20(11-4-5-12-20)22-19(26)18-17(23-25-24-18)14-7-2-1-3-8-14/h1-3,6-10,13H,4-5,11-12H2,(H,22,26)(H,23,24,25)
InChIKeyJWQKHSBHNRVFSY-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.32
Rot. Bonds4

About N-[1-(3-chlorophenyl)cyclopentyl]-5-phenyl-2H-triazole-4-carboxamide

N-[1-(3-chlorophenyl)cyclopentyl]-5-phenyl-2H-triazole-4-carboxamide (PubChem CID 166245513) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)cyclopentyl]-5-phenyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)cyclopentyl]-5-phenyl-2H-triazole-4-carboxamide
PubChem CID166245513
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-[1-(3-chlorophenyl)cyclopentyl]-5-phenyl-2H-triazole-4-carboxamide
SMILESO=C(NC1(c2cccc(Cl)c2)CCCC1)c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C20H19ClN4O/c21-16-10-6-9-15(13-16)20(11-4-5-12-20)22-19(26)18-17(23-25-24-18)14-7-2-1-3-8-14/h1-3,6-10,13H,4-5,11-12H2,(H,22,26)(H,23,24,25)
InChIKeyJWQKHSBHNRVFSY-UHFFFAOYSA-N
XLogP4.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[1-(3-chlorophenyl)cyclopentyl]-2-cyclopropyl-6-oxo-1H-pyridine-4-carboxamide
CID 127904097
2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide
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N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
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[5-(3-chlorophenyl)-2H-triazol-4-yl]-pyrrolidin-1-ylmethanone
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N-(1-phenylcyclobutyl)-2H-benzotriazole-5-carboxamide
CID 51112398

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)cyclopentyl]-5-phenyl-2H-triazole-4-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)cyclopentyl]-5-phenyl-2H-triazole-4-carboxamide (CID 166245513) is N-[1-(3-chlorophenyl)cyclopentyl]-5-phenyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)cyclopentyl]-5-phenyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)cyclopentyl]-5-phenyl-2H-triazole-4-carboxamide is O=C(NC1(c2cccc(Cl)c2)CCCC1)c1n[nH]nc1-c1ccccc1.
What is the InChIKey of N-[1-(3-chlorophenyl)cyclopentyl]-5-phenyl-2H-triazole-4-carboxamide?
The InChIKey is JWQKHSBHNRVFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-16-10-6-9-15(13-16)20(11-4-5-12-20)22-19(26)18-17(23-25-24-18)14-7-2-1-3-8-14/h1-3,6-10,13H,4-5,11-12H2,(H,22,26)(H,23,24,25).
What are the key properties of N-[1-(3-chlorophenyl)cyclopentyl]-5-phenyl-2H-triazole-4-carboxamide?
N-[1-(3-chlorophenyl)cyclopentyl]-5-phenyl-2H-triazole-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)cyclopentyl]-5-phenyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 166245513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).