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

C21H13Cl2F2N3O — CID 130229612

IUPACN-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,4-difluorobenzamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc(F)cc1F
InChIInChI=1S/C21H13Cl2F2N3O/c22-13-6-5-12(17(23)9-13)11-28-19-4-2-1-3-16(19)20(27-28)26-21(29)15-8-7-14(24)10-18(15)25/h1-10H,11H2,(H,26,27,29)
InChIKeyFBQQNHCKTFRLQR-UHFFFAOYSA-N
MW432.26 g/mol
LogP5.92
Rot. Bonds4

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

N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,4-difluorobenzamide (PubChem CID 130229612) 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]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,4-difluorobenzamide
PubChem CID130229612
Molecular FormulaC21H13Cl2F2N3O
Molecular Weight432.26 g/mol
Exact Mass431.04
IUPAC NameN-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,4-difluorobenzamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc(F)cc1F
InChIInChI=1S/C21H13Cl2F2N3O/c22-13-6-5-12(17(23)9-13)11-28-19-4-2-1-3-16(19)20(27-28)26-21(29)15-8-7-14(24)10-18(15)25/h1-10H,11H2,(H,26,27,29)
InChIKeyFBQQNHCKTFRLQR-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]-2,4-difluorobenzamide?
The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,4-difluorobenzamide (CID 130229612) is N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,4-difluorobenzamide is O=C(Nc1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc(F)cc1F.
What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,4-difluorobenzamide?
The InChIKey is FBQQNHCKTFRLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2F2N3O/c22-13-6-5-12(17(23)9-13)11-28-19-4-2-1-3-16(19)20(27-28)26-21(29)15-8-7-14(24)10-18(15)25/h1-10H,11H2,(H,26,27,29).
What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,4-difluorobenzamide?
N-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]-2,4-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]-2,4-difluorobenzamide is sourced from PubChem (CID 130229612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).