(4-chlorophenyl)-(2-phenylindazol-3-yl)methanone

C20H13ClN2O — CID 71481537

IUPAC(4-chlorophenyl)-(2-phenylindazol-3-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1c2ccccc2nn1-c1ccccc1
InChIInChI=1S/C20H13ClN2O/c21-15-12-10-14(11-13-15)20(24)19-17-8-4-5-9-18(17)22-23(19)16-6-2-1-3-7-16/h1-13H
InChIKeyIJYRADIYAPNCIL-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.91
Rot. Bonds3

About (4-chlorophenyl)-(2-phenylindazol-3-yl)methanone

(4-chlorophenyl)-(2-phenylindazol-3-yl)methanone (PubChem CID 71481537) has the molecular formula C20H13ClN2O and a molecular weight of 332.79 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-phenylindazol-3-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-phenylindazol-3-yl)methanone
PubChem CID71481537
Molecular FormulaC20H13ClN2O
Molecular Weight332.79 g/mol
Exact Mass332.07
IUPAC Name(4-chlorophenyl)-(2-phenylindazol-3-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1c2ccccc2nn1-c1ccccc1
InChIInChI=1S/C20H13ClN2O/c21-15-12-10-14(11-13-15)20(24)19-17-8-4-5-9-18(17)22-23(19)16-6-2-1-3-7-16/h1-13H
InChIKeyIJYRADIYAPNCIL-UHFFFAOYSA-N
XLogP4.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-amino-3-(1,3-benzothiazol-2-yl)-1-phenylpyrazol-5-yl]-(4-chlorophenyl)methanone
CID 2441044
(2-methylindazol-3-yl)-phenylmethanone
CID 11658728
[2-(4-chlorophenyl)indazol-3-yl]-cyclohexylmethanone;2-iodylbenzoic acid
CID 160648793
(4-chlorophenyl)-(2,4-dimethylquinolin-3-yl)methanone
CID 2439813
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
(4-chlorophenyl)-(1-phenylpyrrol-3-yl)methanone
CID 5325964
3-(4-chlorophenyl)-2-(4-methylphenyl)indazole
CID 102171716
4-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]benzoic acid
CID 16772339
3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid
CID 2805924
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
(2-anilino-5-methyl-3-phenylimidazol-4-yl)-(4-chlorophenyl)methanone
CID 102413641
4-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 141062484

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-phenylindazol-3-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(2-phenylindazol-3-yl)methanone (CID 71481537) is (4-chlorophenyl)-(2-phenylindazol-3-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2-phenylindazol-3-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2-phenylindazol-3-yl)methanone is O=C(c1ccc(Cl)cc1)c1c2ccccc2nn1-c1ccccc1.
What is the InChIKey of (4-chlorophenyl)-(2-phenylindazol-3-yl)methanone?
The InChIKey is IJYRADIYAPNCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O/c21-15-12-10-14(11-13-15)20(24)19-17-8-4-5-9-18(17)22-23(19)16-6-2-1-3-7-16/h1-13H.
What are the key properties of (4-chlorophenyl)-(2-phenylindazol-3-yl)methanone?
(4-chlorophenyl)-(2-phenylindazol-3-yl)methanone has a molecular weight of 332.79 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-phenylindazol-3-yl)methanone is sourced from PubChem (CID 71481537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).