4-fluoro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide

C23H24FN3O — CID 4729379

IUPAC4-fluoro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide
SMILESCc1nn(-c2ccccc2)c2c1C(NC(=O)c1ccc(F)cc1)CC(C)(C)C2
InChIInChI=1S/C23H24FN3O/c1-15-21-19(25-22(28)16-9-11-17(24)12-10-16)13-23(2,3)14-20(21)27(26-15)18-7-5-4-6-8-18/h4-12,19H,13-14H2,1-3H3,(H,25,28)
InChIKeyWVIGXWLWYUHMEX-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.76
Rot. Bonds3

About 4-fluoro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide

4-fluoro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide (PubChem CID 4729379) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 4-fluoro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide
PubChem CID4729379
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name4-fluoro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide
SMILESCc1nn(-c2ccccc2)c2c1C(NC(=O)c1ccc(F)cc1)CC(C)(C)C2
InChIInChI=1S/C23H24FN3O/c1-15-21-19(25-22(28)16-9-11-17(24)12-10-16)13-23(2,3)14-20(21)27(26-15)18-7-5-4-6-8-18/h4-12,19H,13-14H2,1-3H3,(H,25,28)
InChIKeyWVIGXWLWYUHMEX-UHFFFAOYSA-N
XLogP4.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dinitro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide
CID 4729384
2-chloro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)prop-2-enamide
CID 102454423
2-oxo-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)chromene-3-carboxamide
CID 3800061
N-[(4S)-3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]methanesulfonamide
CID 939265
4-fluoro-N-[(E)-(3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-ylidene)amino]benzamide
CID 18833554
3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide
CID 155979875
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-imidazol-1-ylbenzamide
CID 26396897
2-chloro-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)acetamide
CID 155979881
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 42415043
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide
CID 26333048
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide
CID 42515367
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 24793131

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide?
The IUPAC name of 4-fluoro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide (CID 4729379) is 4-fluoro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide is Cc1nn(-c2ccccc2)c2c1C(NC(=O)c1ccc(F)cc1)CC(C)(C)C2.
What is the InChIKey of 4-fluoro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide?
The InChIKey is WVIGXWLWYUHMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-15-21-19(25-22(28)16-9-11-17(24)12-10-16)13-23(2,3)14-20(21)27(26-15)18-7-5-4-6-8-18/h4-12,19H,13-14H2,1-3H3,(H,25,28).
What are the key properties of 4-fluoro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide?
4-fluoro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide has a molecular weight of 377.46 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide is sourced from PubChem (CID 4729379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).