3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanamide

C20H19N3O — CID 69363165

IUPAC3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanamide
SMILESNC(=O)CCc1nn(-c2ccccc2)c2c1CCc1ccccc1-2
InChIInChI=1S/C20H19N3O/c21-19(24)13-12-18-17-11-10-14-6-4-5-9-16(14)20(17)23(22-18)15-7-2-1-3-8-15/h1-9H,10-13H2,(H2,21,24)
InChIKeyNGVJLNDMEGQIIC-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.06
Rot. Bonds4

About 3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanamide

3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanamide (PubChem CID 69363165) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanamide
PubChem CID69363165
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanamide
SMILESNC(=O)CCc1nn(-c2ccccc2)c2c1CCc1ccccc1-2
InChIInChI=1S/C20H19N3O/c21-19(24)13-12-18-17-11-10-14-6-4-5-9-16(14)20(17)23(22-18)15-7-2-1-3-8-15/h1-9H,10-13H2,(H2,21,24)
InChIKeyNGVJLNDMEGQIIC-UHFFFAOYSA-N
XLogP3.06
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanamide?
The IUPAC name of 3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanamide (CID 69363165) is 3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanamide.
What is the SMILES notation for 3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanamide?
The canonical SMILES for 3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanamide is NC(=O)CCc1nn(-c2ccccc2)c2c1CCc1ccccc1-2.
What is the InChIKey of 3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanamide?
The InChIKey is NGVJLNDMEGQIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c21-19(24)13-12-18-17-11-10-14-6-4-5-9-16(14)20(17)23(22-18)15-7-2-1-3-8-15/h1-9H,10-13H2,(H2,21,24).
What are the key properties of 3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanamide?
3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenyl-4,5-dihydrobenzo[g]indazol-3-yl)propanamide is sourced from PubChem (CID 69363165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).