1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole

C17H15ClFN — CID 102861491

IUPAC1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole
SMILESCCc1cccc2ccn(Cc3cccc(Cl)c3F)c12
InChIInChI=1S/C17H15ClFN/c1-2-12-5-3-6-13-9-10-20(17(12)13)11-14-7-4-8-15(18)16(14)19/h3-10H,2,11H2,1H3
InChIKeyPMHPBWPAQZSBJQ-UHFFFAOYSA-N
MW287.77 g/mol
LogP5.04
Rot. Bonds3

About 1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole

1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole (PubChem CID 102861491) has the molecular formula C17H15ClFN and a molecular weight of 287.77 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole.

Molecular Properties

Compound Name1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole
PubChem CID102861491
Molecular FormulaC17H15ClFN
Molecular Weight287.77 g/mol
Exact Mass287.09
IUPAC Name1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole
SMILESCCc1cccc2ccn(Cc3cccc(Cl)c3F)c12
InChIInChI=1S/C17H15ClFN/c1-2-12-5-3-6-13-9-10-20(17(12)13)11-14-7-4-8-15(18)16(14)19/h3-10H,2,11H2,1H3
InChIKeyPMHPBWPAQZSBJQ-UHFFFAOYSA-N
XLogP5.04
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.77
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine
CID 102861922
4-chloro-3-[(7-ethylindol-1-yl)methyl]aniline
CID 43169098
1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole
CID 116618712
1-[(2-bromophenyl)methyl]-7-ethylindole
CID 116618984
1-(2,2-difluoroethyl)-7-ethylindole
CID 116618758
[1-[(2-chloro-3-fluorophenyl)methyl]indol-7-yl]methanamine
CID 115984379
7-ethyl-1-prop-2-ynylindole
CID 116618856
7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 103475124
7-ethyl-1-(2-piperidin-1-ylethyl)indole
CID 116618924
7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole
CID 107054395
4-[(7-ethylindol-1-yl)methyl]-5-methylfuran-2-carboxylic acid
CID 62273625
7-ethyl-1-(2-propoxyethyl)indole
CID 106458036

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole?
The IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole (CID 102861491) is 1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole.
What is the SMILES notation for 1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole?
The canonical SMILES for 1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole is CCc1cccc2ccn(Cc3cccc(Cl)c3F)c12.
What is the InChIKey of 1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole?
The InChIKey is PMHPBWPAQZSBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN/c1-2-12-5-3-6-13-9-10-20(17(12)13)11-14-7-4-8-15(18)16(14)19/h3-10H,2,11H2,1H3.
What are the key properties of 1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole?
1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole has a molecular weight of 287.77 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole is sourced from PubChem (CID 102861491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).