2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide

C22H23ClN4O — CID 69293752

IUPAC2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide
SMILESO=C(Cn1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1)NC1CCCCC1
InChIInChI=1S/C22H23ClN4O/c23-18-13-11-17(12-14-18)22-21(16-7-3-1-4-8-16)25-27(26-22)15-20(28)24-19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2,(H,24,28)
InChIKeyHXLPEJSYBDPPLJ-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.71
Rot. Bonds5

About 2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide

2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide (PubChem CID 69293752) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide
PubChem CID69293752
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide
SMILESO=C(Cn1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1)NC1CCCCC1
InChIInChI=1S/C22H23ClN4O/c23-18-13-11-17(12-14-18)22-21(16-7-3-1-4-8-16)25-27(26-22)15-20(28)24-19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2,(H,24,28)
InChIKeyHXLPEJSYBDPPLJ-UHFFFAOYSA-N
XLogP4.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylamino)-2-oxoethyl] 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 4070116
2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]-N-cyclopropylacetamide
CID 19588260
4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide
CID 20877509
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-cyclohexylacetamide
CID 19588234
N'-(4-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605
N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
CID 53033030
2-[5-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-cyclopentylacetamide
CID 90468984
3-(4-chlorophenyl)-N-cyclohexyl-1-(2-methylpropyl)-6-oxo-5-phenylpyrazine-2-carboxamide
CID 101258247
2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-cyclopentylacetamide
CID 3744238
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide
CID 6464509
4-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-phenyltriazole-2-carboxamide
CID 24955583

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide (CID 69293752) is 2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide is O=C(Cn1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1)NC1CCCCC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide?
The InChIKey is HXLPEJSYBDPPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c23-18-13-11-17(12-14-18)22-21(16-7-3-1-4-8-16)25-27(26-22)15-20(28)24-19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2,(H,24,28).
What are the key properties of 2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide?
2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide has a molecular weight of 394.91 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 69293752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).