(4-fluoronaphthalen-1-yl)-(7-methoxy-2-methyl-1H-indol-3-yl)methanone

C21H16FNO2 — CID 19366786

IUPAC(4-fluoronaphthalen-1-yl)-(7-methoxy-2-methyl-1H-indol-3-yl)methanone
SMILESCOc1cccc2c(C(=O)c3ccc(F)c4ccccc34)c(C)[nH]c12
InChIInChI=1S/C21H16FNO2/c1-12-19(16-8-5-9-18(25-2)20(16)23-12)21(24)15-10-11-17(22)14-7-4-3-6-13(14)15/h3-11,23H,1-2H3
InChIKeyXVRWCXWQZOVMBX-UHFFFAOYSA-N
MW333.36 g/mol
LogP5.01
Rot. Bonds3

About (4-fluoronaphthalen-1-yl)-(7-methoxy-2-methyl-1H-indol-3-yl)methanone

(4-fluoronaphthalen-1-yl)-(7-methoxy-2-methyl-1H-indol-3-yl)methanone (PubChem CID 19366786) has the molecular formula C21H16FNO2 and a molecular weight of 333.36 g/mol. Its IUPAC name is (4-fluoronaphthalen-1-yl)-(7-methoxy-2-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4-fluoronaphthalen-1-yl)-(7-methoxy-2-methyl-1H-indol-3-yl)methanone
PubChem CID19366786
Molecular FormulaC21H16FNO2
Molecular Weight333.36 g/mol
Exact Mass333.12
IUPAC Name(4-fluoronaphthalen-1-yl)-(7-methoxy-2-methyl-1H-indol-3-yl)methanone
SMILESCOc1cccc2c(C(=O)c3ccc(F)c4ccccc34)c(C)[nH]c12
InChIInChI=1S/C21H16FNO2/c1-12-19(16-8-5-9-18(25-2)20(16)23-12)21(24)15-10-11-17(22)14-7-4-3-6-13(14)15/h3-11,23H,1-2H3
InChIKeyXVRWCXWQZOVMBX-UHFFFAOYSA-N
XLogP5.01
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.36
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
(4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone
CID 81127573
(2-fluoro-6-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103432999
2-(ethylamino)-1-(7-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 96675267
(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116809979
7-methoxy-N-(3-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110859939
7-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 65335195
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 110852178
3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one
CID 96788078
(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301259
(2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone
CID 14018362
2-(7-methoxy-2-methyl-1H-indol-3-yl)acetaldehyde
CID 112710911

Frequently Asked Questions

What is the IUPAC name of (4-fluoronaphthalen-1-yl)-(7-methoxy-2-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (4-fluoronaphthalen-1-yl)-(7-methoxy-2-methyl-1H-indol-3-yl)methanone (CID 19366786) is (4-fluoronaphthalen-1-yl)-(7-methoxy-2-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (4-fluoronaphthalen-1-yl)-(7-methoxy-2-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (4-fluoronaphthalen-1-yl)-(7-methoxy-2-methyl-1H-indol-3-yl)methanone is COc1cccc2c(C(=O)c3ccc(F)c4ccccc34)c(C)[nH]c12.
What is the InChIKey of (4-fluoronaphthalen-1-yl)-(7-methoxy-2-methyl-1H-indol-3-yl)methanone?
The InChIKey is XVRWCXWQZOVMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO2/c1-12-19(16-8-5-9-18(25-2)20(16)23-12)21(24)15-10-11-17(22)14-7-4-3-6-13(14)15/h3-11,23H,1-2H3.
What are the key properties of (4-fluoronaphthalen-1-yl)-(7-methoxy-2-methyl-1H-indol-3-yl)methanone?
(4-fluoronaphthalen-1-yl)-(7-methoxy-2-methyl-1H-indol-3-yl)methanone has a molecular weight of 333.36 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoronaphthalen-1-yl)-(7-methoxy-2-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 19366786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).