N-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide

C18H19N3O2 — CID 100830643

IUPACN-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide
SMILESCC(C)Oc1nn(C)c2ccc(NC(=O)c3ccccc3)cc12
InChIInChI=1S/C18H19N3O2/c1-12(2)23-18-15-11-14(9-10-16(15)21(3)20-18)19-17(22)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,19,22)
InChIKeyYNGFPAWUVAWDNT-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.61
Rot. Bonds4

About N-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide

N-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide (PubChem CID 100830643) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide
PubChem CID100830643
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide
SMILESCC(C)Oc1nn(C)c2ccc(NC(=O)c3ccccc3)cc12
InChIInChI=1S/C18H19N3O2/c1-12(2)23-18-15-11-14(9-10-16(15)21(3)20-18)19-17(22)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,19,22)
InChIKeyYNGFPAWUVAWDNT-UHFFFAOYSA-N
XLogP3.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide?
The IUPAC name of N-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide (CID 100830643) is N-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide.
What is the SMILES notation for N-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide?
The canonical SMILES for N-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide is CC(C)Oc1nn(C)c2ccc(NC(=O)c3ccccc3)cc12.
What is the InChIKey of N-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide?
The InChIKey is YNGFPAWUVAWDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12(2)23-18-15-11-14(9-10-16(15)21(3)20-18)19-17(22)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,19,22).
What are the key properties of N-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide?
N-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide has a molecular weight of 309.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide is sourced from PubChem (CID 100830643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).