4-acetyl-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide

C24H25N3O2 — CID 24817603

IUPAC4-acetyl-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide
SMILESCC(=O)c1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C24H25N3O2/c1-16(28)17-9-11-18(12-10-17)23(29)26-21-13-24(2,3)14-22-20(21)15-25-27(22)19-7-5-4-6-8-19/h4-12,15,21H,13-14H2,1-3H3,(H,26,29)
InChIKeyIDOAVOMYBKLIBA-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.52
Rot. Bonds4

About 4-acetyl-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide

4-acetyl-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide (PubChem CID 24817603) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-acetyl-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide.

Molecular Properties

Compound Name4-acetyl-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide
PubChem CID24817603
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-acetyl-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide
SMILESCC(=O)c1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C24H25N3O2/c1-16(28)17-9-11-18(12-10-17)23(29)26-21-13-24(2,3)14-22-20(21)15-25-27(22)19-7-5-4-6-8-19/h4-12,15,21H,13-14H2,1-3H3,(H,26,29)
InChIKeyIDOAVOMYBKLIBA-UHFFFAOYSA-N
XLogP4.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide?
The IUPAC name of 4-acetyl-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide (CID 24817603) is 4-acetyl-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide.
What is the SMILES notation for 4-acetyl-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide?
The canonical SMILES for 4-acetyl-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide is CC(=O)c1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2)cc1.
What is the InChIKey of 4-acetyl-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide?
The InChIKey is IDOAVOMYBKLIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-16(28)17-9-11-18(12-10-17)23(29)26-21-13-24(2,3)14-22-20(21)15-25-27(22)19-7-5-4-6-8-19/h4-12,15,21H,13-14H2,1-3H3,(H,26,29).
What are the key properties of 4-acetyl-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide?
4-acetyl-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide has a molecular weight of 387.48 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide is sourced from PubChem (CID 24817603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).