(2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone

C22H16ClNO — CID 154119569

IUPAC(2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone
SMILESCn1c(-c2ccccc2)c(C(=O)c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C22H16ClNO/c1-24-19-14-8-6-12-17(19)20(21(24)15-9-3-2-4-10-15)22(25)16-11-5-7-13-18(16)23/h2-14H,1H3
InChIKeyVPHANRNXMACMDB-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.73
Rot. Bonds3

About (2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone

(2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone (PubChem CID 154119569) has the molecular formula C22H16ClNO and a molecular weight of 345.83 g/mol. Its IUPAC name is (2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone
PubChem CID154119569
Molecular FormulaC22H16ClNO
Molecular Weight345.83 g/mol
Exact Mass345.09
IUPAC Name(2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone
SMILESCn1c(-c2ccccc2)c(C(=O)c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C22H16ClNO/c1-24-19-14-8-6-12-17(19)20(21(24)15-9-3-2-4-10-15)22(25)16-11-5-7-13-18(16)23/h2-14H,1H3
InChIKeyVPHANRNXMACMDB-UHFFFAOYSA-N
XLogP5.73
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone
CID 154139542
1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719
2-(2-chlorophenyl)-1-methylindole-3-carboxylic acid
CID 19005908
2-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethoxy]benzamide
CID 7679661
2-(1-methyl-2-phenylindole-3-carbonyl)-6-nitrobenzoic acid;1-methyl-2-phenylindolizine
CID 163932663
(2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159787
1-(1-methyl-2-phenylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione
CID 5296340
trans-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 40533854
3-chloro-1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 2441645
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 4857641
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate
CID 24615642
1-methyl-2,3-diphenylindole
CID 11426096

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone (CID 154119569) is (2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone is Cn1c(-c2ccccc2)c(C(=O)c2ccccc2Cl)c2ccccc21.
What is the InChIKey of (2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone?
The InChIKey is VPHANRNXMACMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO/c1-24-19-14-8-6-12-17(19)20(21(24)15-9-3-2-4-10-15)22(25)16-11-5-7-13-18(16)23/h2-14H,1H3.
What are the key properties of (2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone?
(2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone has a molecular weight of 345.83 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone is sourced from PubChem (CID 154119569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).