N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,6-difluorobenzamide

C21H13Cl2F2N3O — CID 130229699

IUPACN-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1c(F)cccc1F
InChIInChI=1S/C21H13Cl2F2N3O/c22-13-9-8-12(15(23)10-13)11-28-18-7-2-1-4-14(18)20(27-28)26-21(29)19-16(24)5-3-6-17(19)25/h1-10H,11H2,(H,26,27,29)
InChIKeyYKWGGEAZSNKVFD-UHFFFAOYSA-N
MW432.26 g/mol
LogP5.92
Rot. Bonds4

About N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,6-difluorobenzamide

N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,6-difluorobenzamide (PubChem CID 130229699) has the molecular formula C21H13Cl2F2N3O and a molecular weight of 432.26 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,6-difluorobenzamide
PubChem CID130229699
Molecular FormulaC21H13Cl2F2N3O
Molecular Weight432.26 g/mol
Exact Mass431.04
IUPAC NameN-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1c(F)cccc1F
InChIInChI=1S/C21H13Cl2F2N3O/c22-13-9-8-12(15(23)10-13)11-28-18-7-2-1-4-14(18)20(27-28)26-21(29)19-16(24)5-3-6-17(19)25/h1-10H,11H2,(H,26,27,29)
InChIKeyYKWGGEAZSNKVFD-UHFFFAOYSA-N
XLogP5.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.26
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,6-difluorobenzamide (CID 130229699) is N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,6-difluorobenzamide is O=C(Nc1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1c(F)cccc1F.
What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,6-difluorobenzamide?
The InChIKey is YKWGGEAZSNKVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2F2N3O/c22-13-9-8-12(15(23)10-13)11-28-18-7-2-1-4-14(18)20(27-28)26-21(29)19-16(24)5-3-6-17(19)25/h1-10H,11H2,(H,26,27,29).
What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,6-difluorobenzamide?
N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,6-difluorobenzamide has a molecular weight of 432.26 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 130229699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).