N-(1-phenylcyclopropyl)-3-(1,2,4-triazol-4-yl)benzamide

C18H16N4O — CID 46966677

IUPACN-(1-phenylcyclopropyl)-3-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NC1(c2ccccc2)CC1)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C18H16N4O/c23-17(21-18(9-10-18)15-6-2-1-3-7-15)14-5-4-8-16(11-14)22-12-19-20-13-22/h1-8,11-13H,9-10H2,(H,21,23)
InChIKeyKSONKVYQEMEJGO-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.69
Rot. Bonds4

About N-(1-phenylcyclopropyl)-3-(1,2,4-triazol-4-yl)benzamide

N-(1-phenylcyclopropyl)-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 46966677) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(1-phenylcyclopropyl)-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(1-phenylcyclopropyl)-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID46966677
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-(1-phenylcyclopropyl)-3-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(NC1(c2ccccc2)CC1)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C18H16N4O/c23-17(21-18(9-10-18)15-6-2-1-3-7-15)14-5-4-8-16(11-14)22-12-19-20-13-22/h1-8,11-13H,9-10H2,(H,21,23)
InChIKeyKSONKVYQEMEJGO-UHFFFAOYSA-N
XLogP2.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylcyclopropyl)-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-(1-phenylcyclopropyl)-3-(1,2,4-triazol-4-yl)benzamide (CID 46966677) is N-(1-phenylcyclopropyl)-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-(1-phenylcyclopropyl)-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-(1-phenylcyclopropyl)-3-(1,2,4-triazol-4-yl)benzamide is O=C(NC1(c2ccccc2)CC1)c1cccc(-n2cnnc2)c1.
What is the InChIKey of N-(1-phenylcyclopropyl)-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is KSONKVYQEMEJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-17(21-18(9-10-18)15-6-2-1-3-7-15)14-5-4-8-16(11-14)22-12-19-20-13-22/h1-8,11-13H,9-10H2,(H,21,23).
What are the key properties of N-(1-phenylcyclopropyl)-3-(1,2,4-triazol-4-yl)benzamide?
N-(1-phenylcyclopropyl)-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 304.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylcyclopropyl)-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 46966677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).