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

C20H14ClNO2 — CID 955150

IUPAC[1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C20H14ClNO2/c21-15-9-7-14(8-10-15)12-22-13-17(16-4-1-2-5-18(16)22)20(23)19-6-3-11-24-19/h1-11,13H,12H2
InChIKeyIKRFCLVDCGHBLJ-UHFFFAOYSA-N
MW335.79 g/mol
LogP5.17
Rot. Bonds4

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

[1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone (PubChem CID 955150) has the molecular formula C20H14ClNO2 and a molecular weight of 335.79 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
PubChem CID955150
Molecular FormulaC20H14ClNO2
Molecular Weight335.79 g/mol
Exact Mass335.07
IUPAC Name[1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C20H14ClNO2/c21-15-9-7-14(8-10-15)12-22-13-17(16-4-1-2-5-18(16)22)20(23)19-6-3-11-24-19/h1-11,13H,12H2
InChIKeyIKRFCLVDCGHBLJ-UHFFFAOYSA-N
XLogP5.17
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.79
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-fluorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 955151
[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 21373665
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride
CID 10980477
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 5302284
furan-2-yl-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]methanone
CID 4127305
2-[3-(furan-2-carbonyl)indol-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 1096041
2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1-methylimidazole-4-carbaldehyde
CID 20730296
1-(4-benzylpiperazin-1-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethane-1,2-dione
CID 110173159
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 5303659
2-[3-(furan-2-carbonyl)indol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2975165
1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide
CID 34241101

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone (CID 955150) is [1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone is O=C(c1ccco1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone?
The InChIKey is IKRFCLVDCGHBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO2/c21-15-9-7-14(8-10-15)12-22-13-17(16-4-1-2-5-18(16)22)20(23)19-6-3-11-24-19/h1-11,13H,12H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone?
[1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone has a molecular weight of 335.79 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 955150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).