N-[(1R,2R)-2-cyclohexylcyclopropyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide

C19H24N4O — CID 97080048

IUPACN-[(1R,2R)-2-cyclohexylcyclopropyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1ccccc1Cn1cncn1
InChIInChI=1S/C19H24N4O/c24-19(22-18-10-17(18)14-6-2-1-3-7-14)16-9-5-4-8-15(16)11-23-13-20-12-21-23/h4-5,8-9,12-14,17-18H,1-3,6-7,10-11H2,(H,22,24)/t17-,18-/m1/s1
InChIKeyVKCPQXFHRDZJQD-QZTJIDSGSA-N
MW324.43 g/mol
LogP3.03
Rot. Bonds5

About N-[(1R,2R)-2-cyclohexylcyclopropyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide

N-[(1R,2R)-2-cyclohexylcyclopropyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 97080048) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[(1R,2R)-2-cyclohexylcyclopropyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-cyclohexylcyclopropyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID97080048
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[(1R,2R)-2-cyclohexylcyclopropyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1ccccc1Cn1cncn1
InChIInChI=1S/C19H24N4O/c24-19(22-18-10-17(18)14-6-2-1-3-7-14)16-9-5-4-8-15(16)11-23-13-20-12-21-23/h4-5,8-9,12-14,17-18H,1-3,6-7,10-11H2,(H,22,24)/t17-,18-/m1/s1
InChIKeyVKCPQXFHRDZJQD-QZTJIDSGSA-N
XLogP3.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-cyclohexylcyclopropyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(1R,2R)-2-cyclohexylcyclopropyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide (CID 97080048) is N-[(1R,2R)-2-cyclohexylcyclopropyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(1R,2R)-2-cyclohexylcyclopropyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(1R,2R)-2-cyclohexylcyclopropyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide is O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1ccccc1Cn1cncn1.
What is the InChIKey of N-[(1R,2R)-2-cyclohexylcyclopropyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is VKCPQXFHRDZJQD-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H24N4O/c24-19(22-18-10-17(18)14-6-2-1-3-7-14)16-9-5-4-8-15(16)11-23-13-20-12-21-23/h4-5,8-9,12-14,17-18H,1-3,6-7,10-11H2,(H,22,24)/t17-,18-/m1/s1.
What are the key properties of N-[(1R,2R)-2-cyclohexylcyclopropyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[(1R,2R)-2-cyclohexylcyclopropyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 324.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-cyclohexylcyclopropyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 97080048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).