3-[1-(4-bromophenyl)indazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide

C24H19BrFN3O — CID 11655628

IUPAC3-[1-(4-bromophenyl)indazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2-c2ccc(Br)cc2)c1
InChIInChI=1S/C24H19BrFN3O/c1-14-21(11-16(12-22(14)26)24(30)28-19-5-6-19)15-2-9-23-17(10-15)13-27-29(23)20-7-3-18(25)4-8-20/h2-4,7-13,19H,5-6H2,1H3,(H,28,30)
InChIKeyDIZMHMLCKVUVMR-UHFFFAOYSA-N
MW464.34 g/mol
LogP5.79
Rot. Bonds4

About 3-[1-(4-bromophenyl)indazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide

3-[1-(4-bromophenyl)indazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide (PubChem CID 11655628) has the molecular formula C24H19BrFN3O and a molecular weight of 464.34 g/mol. Its IUPAC name is 3-[1-(4-bromophenyl)indazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-(4-bromophenyl)indazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
PubChem CID11655628
Molecular FormulaC24H19BrFN3O
Molecular Weight464.34 g/mol
Exact Mass463.07
IUPAC Name3-[1-(4-bromophenyl)indazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2-c2ccc(Br)cc2)c1
InChIInChI=1S/C24H19BrFN3O/c1-14-21(11-16(12-22(14)26)24(30)28-19-5-6-19)15-2-9-23-17(10-15)13-27-29(23)20-7-3-18(25)4-8-20/h2-4,7-13,19H,5-6H2,1H3,(H,28,30)
InChIKeyDIZMHMLCKVUVMR-UHFFFAOYSA-N
XLogP5.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.34
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromophenyl)indazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[1-(4-bromophenyl)indazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide (CID 11655628) is 3-[1-(4-bromophenyl)indazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[1-(4-bromophenyl)indazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[1-(4-bromophenyl)indazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(cnn2-c2ccc(Br)cc2)c1.
What is the InChIKey of 3-[1-(4-bromophenyl)indazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The InChIKey is DIZMHMLCKVUVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrFN3O/c1-14-21(11-16(12-22(14)26)24(30)28-19-5-6-19)15-2-9-23-17(10-15)13-27-29(23)20-7-3-18(25)4-8-20/h2-4,7-13,19H,5-6H2,1H3,(H,28,30).
What are the key properties of 3-[1-(4-bromophenyl)indazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
3-[1-(4-bromophenyl)indazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide has a molecular weight of 464.34 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromophenyl)indazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 11655628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).