(3-chlorophenyl)-[2-(3-propoxyindazol-1-yl)phenyl]methanone

C23H19ClN2O2 — CID 132539687

IUPAC(3-chlorophenyl)-[2-(3-propoxyindazol-1-yl)phenyl]methanone
SMILESCCCOc1nn(-c2ccccc2C(=O)c2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C23H19ClN2O2/c1-2-14-28-23-19-11-4-6-13-21(19)26(25-23)20-12-5-3-10-18(20)22(27)16-8-7-9-17(24)15-16/h3-13,15H,2,14H2,1H3
InChIKeyILYSHDRSZLVBNP-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.70
Rot. Bonds6

About (3-chlorophenyl)-[2-(3-propoxyindazol-1-yl)phenyl]methanone

(3-chlorophenyl)-[2-(3-propoxyindazol-1-yl)phenyl]methanone (PubChem CID 132539687) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is (3-chlorophenyl)-[2-(3-propoxyindazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[2-(3-propoxyindazol-1-yl)phenyl]methanone
PubChem CID132539687
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name(3-chlorophenyl)-[2-(3-propoxyindazol-1-yl)phenyl]methanone
SMILESCCCOc1nn(-c2ccccc2C(=O)c2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C23H19ClN2O2/c1-2-14-28-23-19-11-4-6-13-21(19)26(25-23)20-12-5-3-10-18(20)22(27)16-8-7-9-17(24)15-16/h3-13,15H,2,14H2,1H3
InChIKeyILYSHDRSZLVBNP-UHFFFAOYSA-N
XLogP5.70
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)-(1-pentan-2-ylindol-3-yl)methanone
CID 170857303
(2,4-dichlorophenyl)-(3-propoxyphenyl)methanone
CID 63492692
(2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone
CID 139998072
[3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone
CID 102013038
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800840
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxyacetic acid
CID 23173494
phenyl-(2-propoxyphenyl)methanone
CID 15556308
(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone
CID 43311306
(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methanone
CID 114964168
2-propoxyethyl 3-chlorobenzoate
CID 71145499
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
(3-chlorophenyl)-(2-fluoroquinolin-4-yl)methanone
CID 23362102

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[2-(3-propoxyindazol-1-yl)phenyl]methanone?
The IUPAC name of (3-chlorophenyl)-[2-(3-propoxyindazol-1-yl)phenyl]methanone (CID 132539687) is (3-chlorophenyl)-[2-(3-propoxyindazol-1-yl)phenyl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[2-(3-propoxyindazol-1-yl)phenyl]methanone?
The canonical SMILES for (3-chlorophenyl)-[2-(3-propoxyindazol-1-yl)phenyl]methanone is CCCOc1nn(-c2ccccc2C(=O)c2cccc(Cl)c2)c2ccccc12.
What is the InChIKey of (3-chlorophenyl)-[2-(3-propoxyindazol-1-yl)phenyl]methanone?
The InChIKey is ILYSHDRSZLVBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c1-2-14-28-23-19-11-4-6-13-21(19)26(25-23)20-12-5-3-10-18(20)22(27)16-8-7-9-17(24)15-16/h3-13,15H,2,14H2,1H3.
What are the key properties of (3-chlorophenyl)-[2-(3-propoxyindazol-1-yl)phenyl]methanone?
(3-chlorophenyl)-[2-(3-propoxyindazol-1-yl)phenyl]methanone has a molecular weight of 390.87 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[2-(3-propoxyindazol-1-yl)phenyl]methanone is sourced from PubChem (CID 132539687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).