1-(4-chlorophenyl)-N-phenylindazole-3-carboxamide

C20H14ClN3O — CID 56666609

IUPAC1-(4-chlorophenyl)-N-phenylindazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(-c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C20H14ClN3O/c21-14-10-12-16(13-11-14)24-18-9-5-4-8-17(18)19(23-24)20(25)22-15-6-2-1-3-7-15/h1-13H,(H,22,25)
InChIKeyMZIFHZHNHRTPKF-UHFFFAOYSA-N
MW347.81 g/mol
LogP4.93
Rot. Bonds3

About 1-(4-chlorophenyl)-N-phenylindazole-3-carboxamide

1-(4-chlorophenyl)-N-phenylindazole-3-carboxamide (PubChem CID 56666609) has the molecular formula C20H14ClN3O and a molecular weight of 347.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-phenylindazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-phenylindazole-3-carboxamide
PubChem CID56666609
Molecular FormulaC20H14ClN3O
Molecular Weight347.81 g/mol
Exact Mass347.08
IUPAC Name1-(4-chlorophenyl)-N-phenylindazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(-c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C20H14ClN3O/c21-14-10-12-16(13-11-14)24-18-9-5-4-8-17(18)19(23-24)20(25)22-15-6-2-1-3-7-15/h1-13H,(H,22,25)
InChIKeyMZIFHZHNHRTPKF-UHFFFAOYSA-N
XLogP4.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-phenylindazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-phenylindazole-3-carboxamide (CID 56666609) is 1-(4-chlorophenyl)-N-phenylindazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-phenylindazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-phenylindazole-3-carboxamide is O=C(Nc1ccccc1)c1nn(-c2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 1-(4-chlorophenyl)-N-phenylindazole-3-carboxamide?
The InChIKey is MZIFHZHNHRTPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O/c21-14-10-12-16(13-11-14)24-18-9-5-4-8-17(18)19(23-24)20(25)22-15-6-2-1-3-7-15/h1-13H,(H,22,25).
What are the key properties of 1-(4-chlorophenyl)-N-phenylindazole-3-carboxamide?
1-(4-chlorophenyl)-N-phenylindazole-3-carboxamide has a molecular weight of 347.81 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-phenylindazole-3-carboxamide is sourced from PubChem (CID 56666609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).