N-benzyl-1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazole-3-carboxamide

C23H18F3N3O2 — CID 141202072

IUPACN-benzyl-1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1nn(Cc2ccc(OC(F)F)cc2)c2ccc(F)cc12
InChIInChI=1S/C23H18F3N3O2/c24-17-8-11-20-19(12-17)21(22(30)27-13-15-4-2-1-3-5-15)28-29(20)14-16-6-9-18(10-7-16)31-23(25)26/h1-12,23H,13-14H2,(H,27,30)
InChIKeyPNUYPEFSYYQWID-UHFFFAOYSA-N
MW425.41 g/mol
LogP4.76
Rot. Bonds7

About N-benzyl-1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazole-3-carboxamide

N-benzyl-1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazole-3-carboxamide (PubChem CID 141202072) has the molecular formula C23H18F3N3O2 and a molecular weight of 425.41 g/mol. Its IUPAC name is N-benzyl-1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazole-3-carboxamide
PubChem CID141202072
Molecular FormulaC23H18F3N3O2
Molecular Weight425.41 g/mol
Exact Mass425.14
IUPAC NameN-benzyl-1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1nn(Cc2ccc(OC(F)F)cc2)c2ccc(F)cc12
InChIInChI=1S/C23H18F3N3O2/c24-17-8-11-20-19(12-17)21(22(30)27-13-15-4-2-1-3-5-15)28-29(20)14-16-6-9-18(10-7-16)31-23(25)26/h1-12,23H,13-14H2,(H,27,30)
InChIKeyPNUYPEFSYYQWID-UHFFFAOYSA-N
XLogP4.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide
CID 166984504
1-[[4-(difluoromethoxy)phenyl]methyl]-3-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3,6-dicarboxamide
CID 50902279
N-(4-cyanophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide
CID 166984505
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide
CID 24954489
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(difluoromethoxy)benzamide
CID 27331273
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide
CID 24954488
N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922848
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide
CID 51181469
3-benzyl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55662834
1-[(4-cyanophenyl)methyl]-5-fluoroindazole-3-carboxylic acid
CID 66857727
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide
CID 39047207

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazole-3-carboxamide?
The IUPAC name of N-benzyl-1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazole-3-carboxamide (CID 141202072) is N-benzyl-1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazole-3-carboxamide.
What is the SMILES notation for N-benzyl-1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazole-3-carboxamide?
The canonical SMILES for N-benzyl-1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazole-3-carboxamide is O=C(NCc1ccccc1)c1nn(Cc2ccc(OC(F)F)cc2)c2ccc(F)cc12.
What is the InChIKey of N-benzyl-1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazole-3-carboxamide?
The InChIKey is PNUYPEFSYYQWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2/c24-17-8-11-20-19(12-17)21(22(30)27-13-15-4-2-1-3-5-15)28-29(20)14-16-6-9-18(10-7-16)31-23(25)26/h1-12,23H,13-14H2,(H,27,30).
What are the key properties of N-benzyl-1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazole-3-carboxamide?
N-benzyl-1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazole-3-carboxamide has a molecular weight of 425.41 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazole-3-carboxamide is sourced from PubChem (CID 141202072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).