1-(2-chlorophenyl)-2-(1-pyrimidin-2-ylindol-2-yl)ethanone

C20H14ClN3O — CID 177414964

IUPAC1-(2-chlorophenyl)-2-(1-pyrimidin-2-ylindol-2-yl)ethanone
SMILESO=C(Cc1cc2ccccc2n1-c1ncccn1)c1ccccc1Cl
InChIInChI=1S/C20H14ClN3O/c21-17-8-3-2-7-16(17)19(25)13-15-12-14-6-1-4-9-18(14)24(15)20-22-10-5-11-23-20/h1-12H,13H2
InChIKeyUWQLXMLRBWWHSE-UHFFFAOYSA-N
MW347.81 g/mol
LogP4.50
Rot. Bonds4

About 1-(2-chlorophenyl)-2-(1-pyrimidin-2-ylindol-2-yl)ethanone

1-(2-chlorophenyl)-2-(1-pyrimidin-2-ylindol-2-yl)ethanone (PubChem CID 177414964) has the molecular formula C20H14ClN3O and a molecular weight of 347.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(1-pyrimidin-2-ylindol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(1-pyrimidin-2-ylindol-2-yl)ethanone
PubChem CID177414964
Molecular FormulaC20H14ClN3O
Molecular Weight347.81 g/mol
Exact Mass347.08
IUPAC Name1-(2-chlorophenyl)-2-(1-pyrimidin-2-ylindol-2-yl)ethanone
SMILESO=C(Cc1cc2ccccc2n1-c1ncccn1)c1ccccc1Cl
InChIInChI=1S/C20H14ClN3O/c21-17-8-3-2-7-16(17)19(25)13-15-12-14-6-1-4-9-18(14)24(15)20-22-10-5-11-23-20/h1-12H,13H2
InChIKeyUWQLXMLRBWWHSE-UHFFFAOYSA-N
XLogP4.50
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 135025205
(2-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 135025830
(3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 154713295
(4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 102206318
1-(2-chlorophenyl)-2-quinolin-5-ylethanone;hydrobromide
CID 173164108
2-(2,3-dichlorophenyl)-1-quinolin-8-ylethanone
CID 107311695
1-(2-chlorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione
CID 110414748
1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone
CID 106861656
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846
2-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone
CID 105102618
1-(2-chlorophenyl)-2-phosphanylethanone
CID 144986578
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62800198

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(1-pyrimidin-2-ylindol-2-yl)ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-(1-pyrimidin-2-ylindol-2-yl)ethanone (CID 177414964) is 1-(2-chlorophenyl)-2-(1-pyrimidin-2-ylindol-2-yl)ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(1-pyrimidin-2-ylindol-2-yl)ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-(1-pyrimidin-2-ylindol-2-yl)ethanone is O=C(Cc1cc2ccccc2n1-c1ncccn1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(1-pyrimidin-2-ylindol-2-yl)ethanone?
The InChIKey is UWQLXMLRBWWHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O/c21-17-8-3-2-7-16(17)19(25)13-15-12-14-6-1-4-9-18(14)24(15)20-22-10-5-11-23-20/h1-12H,13H2.
What are the key properties of 1-(2-chlorophenyl)-2-(1-pyrimidin-2-ylindol-2-yl)ethanone?
1-(2-chlorophenyl)-2-(1-pyrimidin-2-ylindol-2-yl)ethanone has a molecular weight of 347.81 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(1-pyrimidin-2-ylindol-2-yl)ethanone is sourced from PubChem (CID 177414964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).