N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]benzamide

C21H15ClFN3O — CID 24955212

IUPACN-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2cccc(Cl)c2)c2ccc(F)cc12)c1ccccc1
InChIInChI=1S/C21H15ClFN3O/c22-16-8-4-5-14(11-16)13-26-19-10-9-17(23)12-18(19)20(25-26)24-21(27)15-6-2-1-3-7-15/h1-12H,13H2,(H,24,25,27)
InChIKeyDQQFTJYZSOLSDE-UHFFFAOYSA-N
MW379.82 g/mol
LogP5.13
Rot. Bonds4

About N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]benzamide

N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]benzamide (PubChem CID 24955212) has the molecular formula C21H15ClFN3O and a molecular weight of 379.82 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]benzamide
PubChem CID24955212
Molecular FormulaC21H15ClFN3O
Molecular Weight379.82 g/mol
Exact Mass379.09
IUPAC NameN-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2cccc(Cl)c2)c2ccc(F)cc12)c1ccccc1
InChIInChI=1S/C21H15ClFN3O/c22-16-8-4-5-14(11-16)13-26-19-10-9-17(23)12-18(19)20(25-26)24-21(27)15-6-2-1-3-7-15/h1-12H,13H2,(H,24,25,27)
InChIKeyDQQFTJYZSOLSDE-UHFFFAOYSA-N
XLogP5.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.82
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]benzamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]benzamide (CID 24955212) is N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]benzamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]benzamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]benzamide is O=C(Nc1nn(Cc2cccc(Cl)c2)c2ccc(F)cc12)c1ccccc1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]benzamide?
The InChIKey is DQQFTJYZSOLSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O/c22-16-8-4-5-14(11-16)13-26-19-10-9-17(23)12-18(19)20(25-26)24-21(27)15-6-2-1-3-7-15/h1-12H,13H2,(H,24,25,27).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]benzamide?
N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]benzamide has a molecular weight of 379.82 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]-5-fluoroindazol-3-yl]benzamide is sourced from PubChem (CID 24955212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).