(5-chloro-1H-indol-3-yl)-[3-[(4-methoxyphenyl)methyl]furan-2-yl]methanone

C21H16ClNO3 — CID 10361508

IUPAC(5-chloro-1H-indol-3-yl)-[3-[(4-methoxyphenyl)methyl]furan-2-yl]methanone
SMILESCOc1ccc(Cc2ccoc2C(=O)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C21H16ClNO3/c1-25-16-5-2-13(3-6-16)10-14-8-9-26-21(14)20(24)18-12-23-19-7-4-15(22)11-17(18)19/h2-9,11-12,23H,10H2,1H3
InChIKeyQUGWFMFHHILADV-UHFFFAOYSA-N
MW365.82 g/mol
LogP5.24
Rot. Bonds5

About (5-chloro-1H-indol-3-yl)-[3-[(4-methoxyphenyl)methyl]furan-2-yl]methanone

(5-chloro-1H-indol-3-yl)-[3-[(4-methoxyphenyl)methyl]furan-2-yl]methanone (PubChem CID 10361508) has the molecular formula C21H16ClNO3 and a molecular weight of 365.82 g/mol. Its IUPAC name is (5-chloro-1H-indol-3-yl)-[3-[(4-methoxyphenyl)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-3-yl)-[3-[(4-methoxyphenyl)methyl]furan-2-yl]methanone
PubChem CID10361508
Molecular FormulaC21H16ClNO3
Molecular Weight365.82 g/mol
Exact Mass365.08
IUPAC Name(5-chloro-1H-indol-3-yl)-[3-[(4-methoxyphenyl)methyl]furan-2-yl]methanone
SMILESCOc1ccc(Cc2ccoc2C(=O)c2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C21H16ClNO3/c1-25-16-5-2-13(3-6-16)10-14-8-9-26-21(14)20(24)18-12-23-19-7-4-15(22)11-17(18)19/h2-9,11-12,23H,10H2,1H3
InChIKeyQUGWFMFHHILADV-UHFFFAOYSA-N
XLogP5.24
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.82
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1H-indol-3-yl)-2-(4-methoxyphenyl)ethanone
CID 63879051
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
(5-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882260
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
(Z)-2-hydroxy-4-[3-[(4-methoxyphenyl)methyl]furan-2-yl]-4-oxobut-2-enoic acid
CID 69139515
(3-methylfuran-2-yl)-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649119
1-(5-chloro-1H-indol-3-yl)-2-(4-methylphenyl)ethanone
CID 63878353
(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183
N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206005
propan-2-yl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate
CID 10333108
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206381

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-3-yl)-[3-[(4-methoxyphenyl)methyl]furan-2-yl]methanone?
The IUPAC name of (5-chloro-1H-indol-3-yl)-[3-[(4-methoxyphenyl)methyl]furan-2-yl]methanone (CID 10361508) is (5-chloro-1H-indol-3-yl)-[3-[(4-methoxyphenyl)methyl]furan-2-yl]methanone.
What is the SMILES notation for (5-chloro-1H-indol-3-yl)-[3-[(4-methoxyphenyl)methyl]furan-2-yl]methanone?
The canonical SMILES for (5-chloro-1H-indol-3-yl)-[3-[(4-methoxyphenyl)methyl]furan-2-yl]methanone is COc1ccc(Cc2ccoc2C(=O)c2c[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of (5-chloro-1H-indol-3-yl)-[3-[(4-methoxyphenyl)methyl]furan-2-yl]methanone?
The InChIKey is QUGWFMFHHILADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO3/c1-25-16-5-2-13(3-6-16)10-14-8-9-26-21(14)20(24)18-12-23-19-7-4-15(22)11-17(18)19/h2-9,11-12,23H,10H2,1H3.
What are the key properties of (5-chloro-1H-indol-3-yl)-[3-[(4-methoxyphenyl)methyl]furan-2-yl]methanone?
(5-chloro-1H-indol-3-yl)-[3-[(4-methoxyphenyl)methyl]furan-2-yl]methanone has a molecular weight of 365.82 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-3-yl)-[3-[(4-methoxyphenyl)methyl]furan-2-yl]methanone is sourced from PubChem (CID 10361508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).