N-[2-(4-chlorophenyl)indazol-6-yl]-2-methylpropanamide

C17H16ClN3O — CID 56680244

IUPACN-[2-(4-chlorophenyl)indazol-6-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2cn(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C17H16ClN3O/c1-11(2)17(22)19-14-6-3-12-10-21(20-16(12)9-14)15-7-4-13(18)5-8-15/h3-11H,1-2H3,(H,19,22)
InChIKeyBWGFMLVRXCIYSY-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.27
Rot. Bonds3

About N-[2-(4-chlorophenyl)indazol-6-yl]-2-methylpropanamide

N-[2-(4-chlorophenyl)indazol-6-yl]-2-methylpropanamide (PubChem CID 56680244) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)indazol-6-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)indazol-6-yl]-2-methylpropanamide
PubChem CID56680244
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-[2-(4-chlorophenyl)indazol-6-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2cn(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C17H16ClN3O/c1-11(2)17(22)19-14-6-3-12-10-21(20-16(12)9-14)15-7-4-13(18)5-8-15/h3-11H,1-2H3,(H,19,22)
InChIKeyBWGFMLVRXCIYSY-UHFFFAOYSA-N
XLogP4.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)indazol-6-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(4-chlorophenyl)indazol-6-yl]-2-methylpropanamide (CID 56680244) is N-[2-(4-chlorophenyl)indazol-6-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)indazol-6-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)indazol-6-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc2cn(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of N-[2-(4-chlorophenyl)indazol-6-yl]-2-methylpropanamide?
The InChIKey is BWGFMLVRXCIYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-11(2)17(22)19-14-6-3-12-10-21(20-16(12)9-14)15-7-4-13(18)5-8-15/h3-11H,1-2H3,(H,19,22).
What are the key properties of N-[2-(4-chlorophenyl)indazol-6-yl]-2-methylpropanamide?
N-[2-(4-chlorophenyl)indazol-6-yl]-2-methylpropanamide has a molecular weight of 313.79 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)indazol-6-yl]-2-methylpropanamide is sourced from PubChem (CID 56680244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).