N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide

C16H14FN3O — CID 71822185

IUPACN-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H14FN3O/c1-20-14-5-3-2-4-13(14)15(19-20)16(21)18-10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3,(H,18,21)
InChIKeyMEQOERMXYVJHLI-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.64
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide

N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide (PubChem CID 71822185) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
PubChem CID71822185
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H14FN3O/c1-20-14-5-3-2-4-13(14)15(19-20)16(21)18-10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3,(H,18,21)
InChIKeyMEQOERMXYVJHLI-UHFFFAOYSA-N
XLogP2.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylindazole-3-carboxamide
CID 90648663
N-[(4-fluorophenyl)methyl]-1-methyl-4-selanylidenepyrido[3,2-c]pyridazine-3-carboxamide
CID 53483026
N-[(4-fluorophenyl)methyl]-1-methyl-4-sulfanylidenepyrido[3,2-c]pyridazine-3-carboxamide
CID 53482181
N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822183
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822195
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
N-[(4-fluorophenyl)methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2592153
N-(3-bromopropyl)-1-methylindazole-3-carboxamide
CID 103119709
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445
N-[(4-fluorophenyl)methyl]-3-(3-methylbutyl)-4-oxophthalazine-1-carboxamide
CID 4790762

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide (CID 71822185) is N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide is Cn1nc(C(=O)NCc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide?
The InChIKey is MEQOERMXYVJHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-20-14-5-3-2-4-13(14)15(19-20)16(21)18-10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide has a molecular weight of 283.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide is sourced from PubChem (CID 71822185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).