1-(4-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide

C20H19ClN4O — CID 146126673

IUPAC1-(4-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCc1nc(-c2ccccc2)n[nH]1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19ClN4O/c21-16-8-6-15(7-9-16)20(11-12-20)19(26)22-13-10-17-23-18(25-24-17)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,22,26)(H,23,24,25)
InChIKeyNUNVEEONHZGYAY-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.52
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 146126673) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID146126673
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name1-(4-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCc1nc(-c2ccccc2)n[nH]1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19ClN4O/c21-16-8-6-15(7-9-16)20(11-12-20)19(26)22-13-10-17-23-18(25-24-17)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,22,26)(H,23,24,25)
InChIKeyNUNVEEONHZGYAY-UHFFFAOYSA-N
XLogP3.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 69262751
1-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-3-ethylurea
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N-(2-aminoethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
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N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-3-oxo-1,2-dihydroindene-1-carboxamide
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2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
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5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide
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N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 126815135
N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide (CID 146126673) is 1-(4-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide is O=C(NCCc1nc(-c2ccccc2)n[nH]1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is NUNVEEONHZGYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-16-8-6-15(7-9-16)20(11-12-20)19(26)22-13-10-17-23-18(25-24-17)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,22,26)(H,23,24,25).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 146126673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).