N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide

C30H34FN3O — CID 68708258

IUPACN-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(C)(C)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C30H34FN3O/c1-29(2,3)18-27(35)32-20-30(4,5)28(21-9-7-6-8-10-21)22-11-16-26-23(17-22)19-33-34(26)25-14-12-24(31)13-15-25/h6-17,19,28H,18,20H2,1-5H3,(H,32,35)
InChIKeyDUGRLEBTQXZQTQ-UHFFFAOYSA-N
MW471.62 g/mol
LogP6.88
Rot. Bonds7

About N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide

N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide (PubChem CID 68708258) has the molecular formula C30H34FN3O and a molecular weight of 471.62 g/mol. Its IUPAC name is N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide
PubChem CID68708258
Molecular FormulaC30H34FN3O
Molecular Weight471.62 g/mol
Exact Mass471.27
IUPAC NameN-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(C)(C)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C30H34FN3O/c1-29(2,3)18-27(35)32-20-30(4,5)28(21-9-7-6-8-10-21)22-11-16-26-23(17-22)19-33-34(26)25-14-12-24(31)13-15-25/h6-17,19,28H,18,20H2,1-5H3,(H,32,35)
InChIKeyDUGRLEBTQXZQTQ-UHFFFAOYSA-N
XLogP6.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.62
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2,2-dimethylpropanamide
CID 59251075
2,2,3,3,3-pentafluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propanamide
CID 59251063
N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide
CID 59252893
2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]-2-methylbutanoic acid
CID 174601440
N-[(3S)-3-[1-(4-fluorocyclohexa-1,3-dien-1-yl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-methylpropanamide
CID 71096343
3-[1-(4-fluorophenyl)indazol-5-yl]-N-methyl-3-phenylpropanamide
CID 59252835
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789142
1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea
CID 24936450
2-[[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]carbamoylamino]-2-methyl-N-phenylpropanamide
CID 68707640
1-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]-3-(1-hydroxypropan-2-yl)urea
CID 68706316
1-(1,3-dihydroxypropan-2-yl)-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethylhexyl]urea
CID 68705230
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 71102418

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide (CID 68708258) is N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCC(C)(C)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide?
The InChIKey is DUGRLEBTQXZQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN3O/c1-29(2,3)18-27(35)32-20-30(4,5)28(21-9-7-6-8-10-21)22-11-16-26-23(17-22)19-33-34(26)25-14-12-24(31)13-15-25/h6-17,19,28H,18,20H2,1-5H3,(H,32,35).
What are the key properties of N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide?
N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide has a molecular weight of 471.62 g/mol, XLogP of 6.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 68708258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).