3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide

C22H17ClFN3O — CID 118466741

IUPAC3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C22H17ClFN3O/c23-18-5-3-4-17(12-18)22(28)25-21-19-6-1-2-7-20(19)27(26-21)14-16-10-8-15(13-24)9-11-16/h1-12H,13-14H2,(H,25,26,28)
InChIKeyWMPLLIKYCDLMSA-UHFFFAOYSA-N
MW393.85 g/mol
LogP5.46
Rot. Bonds5

About 3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide

3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (PubChem CID 118466741) has the molecular formula C22H17ClFN3O and a molecular weight of 393.85 g/mol. Its IUPAC name is 3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
PubChem CID118466741
Molecular FormulaC22H17ClFN3O
Molecular Weight393.85 g/mol
Exact Mass393.10
IUPAC Name3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C22H17ClFN3O/c23-18-5-3-4-17(12-18)22(28)25-21-19-6-1-2-7-20(19)27(26-21)14-16-10-8-15(13-24)9-11-16/h1-12H,13-14H2,(H,25,26,28)
InChIKeyWMPLLIKYCDLMSA-UHFFFAOYSA-N
XLogP5.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.85
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide (CID 118466741) is 3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is O=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
The InChIKey is WMPLLIKYCDLMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O/c23-18-5-3-4-17(12-18)22(28)25-21-19-6-1-2-7-20(19)27(26-21)14-16-10-8-15(13-24)9-11-16/h1-12H,13-14H2,(H,25,26,28).
What are the key properties of 3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide?
3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide has a molecular weight of 393.85 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide is sourced from PubChem (CID 118466741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).