N-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide

C23H19ClFN3O — CID 24760691

IUPACN-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc2cn(CCc3ccccc3F)nc2c1
InChIInChI=1S/C23H19ClFN3O/c24-20-6-3-4-16(12-20)14-26-23(29)18-8-9-19-15-28(27-22(19)13-18)11-10-17-5-1-2-7-21(17)25/h1-9,12-13,15H,10-11,14H2,(H,26,29)
InChIKeyWIWWGOKAADXIBC-UHFFFAOYSA-N
MW407.88 g/mol
LogP5.00
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide

N-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide (PubChem CID 24760691) has the molecular formula C23H19ClFN3O and a molecular weight of 407.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide
PubChem CID24760691
Molecular FormulaC23H19ClFN3O
Molecular Weight407.88 g/mol
Exact Mass407.12
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc2cn(CCc3ccccc3F)nc2c1
InChIInChI=1S/C23H19ClFN3O/c24-20-6-3-4-16(12-20)14-26-23(29)18-8-9-19-15-28(27-22(19)13-18)11-10-17-5-1-2-7-21(17)25/h1-9,12-13,15H,10-11,14H2,(H,26,29)
InChIKeyWIWWGOKAADXIBC-UHFFFAOYSA-N
XLogP5.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.88
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide
CID 59292087
N-[(3-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 66637595
N-[(3-chlorophenyl)methyl]-2-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide
CID 59292101
N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide
CID 59292094
N-hydroxy-2-(2-phenylethyl)indazole-6-carboxamide
CID 169188075
N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide
CID 59292100
N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide
CID 63188835
N-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide
CID 59292115
1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054581
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
2-[2-(3-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172481
2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide
CID 55731090

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide (CID 24760691) is N-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide is O=C(NCc1cccc(Cl)c1)c1ccc2cn(CCc3ccccc3F)nc2c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide?
The InChIKey is WIWWGOKAADXIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O/c24-20-6-3-4-16(12-20)14-26-23(29)18-8-9-19-15-28(27-22(19)13-18)11-10-17-5-1-2-7-21(17)25/h1-9,12-13,15H,10-11,14H2,(H,26,29).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide?
N-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide has a molecular weight of 407.88 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide is sourced from PubChem (CID 24760691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).