[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone

C20H13Cl2NO2 — CID 21373665

IUPAC[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C20H13Cl2NO2/c21-14-8-7-13(17(22)10-14)11-23-12-16(15-4-1-2-5-18(15)23)20(24)19-6-3-9-25-19/h1-10,12H,11H2
InChIKeyDIOUHACKBFZYJF-UHFFFAOYSA-N
MW370.24 g/mol
LogP5.82
Rot. Bonds4

About [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone

[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone (PubChem CID 21373665) has the molecular formula C20H13Cl2NO2 and a molecular weight of 370.24 g/mol. Its IUPAC name is [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
PubChem CID21373665
Molecular FormulaC20H13Cl2NO2
Molecular Weight370.24 g/mol
Exact Mass369.03
IUPAC Name[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C20H13Cl2NO2/c21-14-8-7-13(17(22)10-14)11-23-12-16(15-4-1-2-5-18(15)23)20(24)19-6-3-9-25-19/h1-10,12H,11H2
InChIKeyDIOUHACKBFZYJF-UHFFFAOYSA-N
XLogP5.82
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.24
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 955150
[1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 955151
furan-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone
CID 4127305
2-(4-chlorophenyl)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126149478
1-[1-[(2,4-dichlorophenyl)methyl]-7-ethylindol-3-yl]ethanone
CID 21380859
2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 1096041
1-benzyl-5-chloroindole-3-carboxylic acid
CID 10565097
[5-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-yl]-(furan-2-yl)methanone
CID 91939012
2-(2-chlorophenyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile
CID 4038734
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride
CID 10980477
2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2975165
N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126365049

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone?
The IUPAC name of [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone (CID 21373665) is [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone?
The canonical SMILES for [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone is O=C(c1ccco1)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone?
The InChIKey is DIOUHACKBFZYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2NO2/c21-14-8-7-13(17(22)10-14)11-23-12-16(15-4-1-2-5-18(15)23)20(24)19-6-3-9-25-19/h1-10,12H,11H2.
What are the key properties of [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone?
[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone has a molecular weight of 370.24 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 21373665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).