1-(5-chloro-2-methoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyltriazole-4-carboxamide

C19H23ClN4O2 — CID 46857958

IUPAC1-(5-chloro-2-methoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1-n1nnc(C(=O)NCCC2=CCCCC2)c1C
InChIInChI=1S/C19H23ClN4O2/c1-13-18(19(25)21-11-10-14-6-4-3-5-7-14)22-23-24(13)16-12-15(20)8-9-17(16)26-2/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,21,25)
InChIKeyJOQKFRUZTXCPBS-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.86
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyltriazole-4-carboxamide

1-(5-chloro-2-methoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyltriazole-4-carboxamide (PubChem CID 46857958) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyltriazole-4-carboxamide
PubChem CID46857958
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1-n1nnc(C(=O)NCCC2=CCCCC2)c1C
InChIInChI=1S/C19H23ClN4O2/c1-13-18(19(25)21-11-10-14-6-4-3-5-7-14)22-23-24(13)16-12-15(20)8-9-17(16)26-2/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,21,25)
InChIKeyJOQKFRUZTXCPBS-UHFFFAOYSA-N
XLogP3.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
CID 46857997
N-(5-chloro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7184617
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
1-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methyltriazole-4-carboxamide
CID 55872076
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CID 970439
N-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trimethoxybenzamide
CID 838037
N-(5-chloro-2-methoxyphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyridazine-3-carboxamide
CID 109113567
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113104852
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3,4-dimethoxyphenyl)methylamino]acetamide
CID 108993937
1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82200726
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109364593
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,4-dimethoxyphenyl)oxamide
CID 7585267

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyltriazole-4-carboxamide (CID 46857958) is 1-(5-chloro-2-methoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyltriazole-4-carboxamide is COc1ccc(Cl)cc1-n1nnc(C(=O)NCCC2=CCCCC2)c1C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyltriazole-4-carboxamide?
The InChIKey is JOQKFRUZTXCPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-13-18(19(25)21-11-10-14-6-4-3-5-7-14)22-23-24(13)16-12-15(20)8-9-17(16)26-2/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,21,25).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyltriazole-4-carboxamide?
1-(5-chloro-2-methoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyltriazole-4-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 46857958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).