(3-benzyl-2,5-dimethylindol-1-yl)-(4-chlorophenyl)methanone

C24H20ClNO — CID 11211027

IUPAC(3-benzyl-2,5-dimethylindol-1-yl)-(4-chlorophenyl)methanone
SMILESCc1ccc2c(c1)c(Cc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClNO/c1-16-8-13-23-22(14-16)21(15-18-6-4-3-5-7-18)17(2)26(23)24(27)19-9-11-20(25)12-10-19/h3-14H,15H2,1-2H3
InChIKeyIZPSFGAYWFYLHR-UHFFFAOYSA-N
MW373.88 g/mol
LogP6.19
Rot. Bonds3

About (3-benzyl-2,5-dimethylindol-1-yl)-(4-chlorophenyl)methanone

(3-benzyl-2,5-dimethylindol-1-yl)-(4-chlorophenyl)methanone (PubChem CID 11211027) has the molecular formula C24H20ClNO and a molecular weight of 373.88 g/mol. Its IUPAC name is (3-benzyl-2,5-dimethylindol-1-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-benzyl-2,5-dimethylindol-1-yl)-(4-chlorophenyl)methanone
PubChem CID11211027
Molecular FormulaC24H20ClNO
Molecular Weight373.88 g/mol
Exact Mass373.12
IUPAC Name(3-benzyl-2,5-dimethylindol-1-yl)-(4-chlorophenyl)methanone
SMILESCc1ccc2c(c1)c(Cc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClNO/c1-16-8-13-23-22(14-16)21(15-18-6-4-3-5-7-18)17(2)26(23)24(27)19-9-11-20(25)12-10-19/h3-14H,15H2,1-2H3
InChIKeyIZPSFGAYWFYLHR-UHFFFAOYSA-N
XLogP6.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.88
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetate
CID 21136124
2-[3-[[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]methyl]phenoxy]propanoic acid
CID 10184159
4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-1-cyclopentylbutan-1-one
CID 162271446
2-[3-[[1-(4-chlorobenzoyl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenoxy]propanoic acid
CID 10143252
2-[1-(4-chlorobenzoyl)-2-methyl-5-(3-oxo-3-phenylmethoxypropoxy)carbonylindol-3-yl]acetic acid
CID 10324815
(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
CID 15320026
5-[[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]methyl]-2-phenyl-1H-pyrazol-3-one
CID 18995214
N-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentyl]cyclopentanecarboxamide
CID 162283280
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568
(4-chlorophenyl)-[5-(hydroxymethyl)-2,3-dimethylindol-1-yl]methanone
CID 70579907
[3-(chloromethyl)phenyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 68880111
benzyl 1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-carboxylate
CID 154136063

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-2,5-dimethylindol-1-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (3-benzyl-2,5-dimethylindol-1-yl)-(4-chlorophenyl)methanone (CID 11211027) is (3-benzyl-2,5-dimethylindol-1-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (3-benzyl-2,5-dimethylindol-1-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (3-benzyl-2,5-dimethylindol-1-yl)-(4-chlorophenyl)methanone is Cc1ccc2c(c1)c(Cc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (3-benzyl-2,5-dimethylindol-1-yl)-(4-chlorophenyl)methanone?
The InChIKey is IZPSFGAYWFYLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO/c1-16-8-13-23-22(14-16)21(15-18-6-4-3-5-7-18)17(2)26(23)24(27)19-9-11-20(25)12-10-19/h3-14H,15H2,1-2H3.
What are the key properties of (3-benzyl-2,5-dimethylindol-1-yl)-(4-chlorophenyl)methanone?
(3-benzyl-2,5-dimethylindol-1-yl)-(4-chlorophenyl)methanone has a molecular weight of 373.88 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-2,5-dimethylindol-1-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 11211027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).