1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide

C18H23ClN4O2 — CID 46857957

IUPAC1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1-n1nnc(C(=O)NC2CCCCCC2)c1C
InChIInChI=1S/C18H23ClN4O2/c1-12-17(18(24)20-14-7-5-3-4-6-8-14)21-22-23(12)15-11-13(19)9-10-16(15)25-2/h9-11,14H,3-8H2,1-2H3,(H,20,24)
InChIKeyQMOQZMXSPICKIF-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.69
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide

1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide (PubChem CID 46857957) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide
PubChem CID46857957
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1-n1nnc(C(=O)NC2CCCCCC2)c1C
InChIInChI=1S/C18H23ClN4O2/c1-12-17(18(24)20-14-7-5-3-4-6-8-14)21-22-23(12)15-11-13(19)9-10-16(15)25-2/h9-11,14H,3-8H2,1-2H3,(H,20,24)
InChIKeyQMOQZMXSPICKIF-UHFFFAOYSA-N
XLogP3.69
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide
CID 44782567
1-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
CID 46857997
1-(5-chloro-2-methoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyltriazole-4-carboxamide
CID 46857958
N-cycloheptyl-1-(3,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 46858317
N-(5-chloro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7184617
1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46857970
2-(5-chloro-2-methoxyphenyl)-N-cyclohexyl-1-(2-cyclohexylethyl)-5-methylimidazole-4-carboxamide
CID 58999148
1-(2-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide
CID 27243357
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-N-cyclohexyl-5-methyltriazole-4-carboxamide
CID 17015379
N-(3-chlorophenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2141172
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 112846042
5-amino-1-(4-chlorophenyl)-N-cyclopentyltriazole-4-carboxamide
CID 6498258

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide (CID 46857957) is 1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide is COc1ccc(Cl)cc1-n1nnc(C(=O)NC2CCCCCC2)c1C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide?
The InChIKey is QMOQZMXSPICKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-12-17(18(24)20-14-7-5-3-4-6-8-14)21-22-23(12)15-11-13(19)9-10-16(15)25-2/h9-11,14H,3-8H2,1-2H3,(H,20,24).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide?
1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 3.69, 4 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-cycloheptyl-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 46857957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).