1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide

C21H13Cl2F2N3O — CID 11704695

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C21H13Cl2F2N3O/c22-13-6-5-12(16(23)9-13)11-28-19-4-2-1-3-15(19)20(27-28)21(29)26-14-7-8-17(24)18(25)10-14/h1-10H,11H2,(H,26,29)
InChIKeyNKZGPKJKYNNNQY-UHFFFAOYSA-N
MW432.26 g/mol
LogP5.92
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide

1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide (PubChem CID 11704695) has the molecular formula C21H13Cl2F2N3O and a molecular weight of 432.26 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide
PubChem CID11704695
Molecular FormulaC21H13Cl2F2N3O
Molecular Weight432.26 g/mol
Exact Mass431.04
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C21H13Cl2F2N3O/c22-13-6-5-12(16(23)9-13)11-28-19-4-2-1-3-15(19)20(27-28)21(29)26-14-7-8-17(24)18(25)10-14/h1-10H,11H2,(H,26,29)
InChIKeyNKZGPKJKYNNNQY-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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Related Compounds

1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
CID 11537039
2-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoic acid
CID 67610724
1-[(2,4-dichlorophenyl)methyl]-N-[(2S,4S)-1-hydroxy-4-methylhexan-2-yl]indazole-3-carboxamide
CID 146222514
[5-[[1-[(2,4-dichlorophenyl)methyl]indazole-3-carbonyl]amino]-3-methylpentyl]-triphenylphosphanium bromide
CID 162305899
1-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]nonan-1-one;hydrobromide
CID 160720537
N-[(1-cyanopyrrolidin-3-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
CID 129247222
1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide
CID 166984841
3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]propanehydrazide
CID 162374177
N-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 53179916
methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
CID 66887924
1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid
CID 58796837
N-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
CID 163384535

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide (CID 11704695) is 1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide?
The InChIKey is NKZGPKJKYNNNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2F2N3O/c22-13-6-5-12(16(23)9-13)11-28-19-4-2-1-3-15(19)20(27-28)21(29)26-14-7-8-17(24)18(25)10-14/h1-10H,11H2,(H,26,29).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide 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 1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide is sourced from PubChem (CID 11704695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).