7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole

C15H10Cl2FN — CID 103475124

IUPAC7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
SMILESFc1ccc(Cl)c(Cn2ccc3cccc(Cl)c32)c1
InChIInChI=1S/C15H10Cl2FN/c16-13-5-4-12(18)8-11(13)9-19-7-6-10-2-1-3-14(17)15(10)19/h1-8H,9H2
InChIKeyGMPZXHXUWKVSIF-UHFFFAOYSA-N
MW294.16 g/mol
LogP5.14
Rot. Bonds2

About 7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole

7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole (PubChem CID 103475124) has the molecular formula C15H10Cl2FN and a molecular weight of 294.16 g/mol. Its IUPAC name is 7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole.

Molecular Properties

Compound Name7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
PubChem CID103475124
Molecular FormulaC15H10Cl2FN
Molecular Weight294.16 g/mol
Exact Mass293.02
IUPAC Name7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
SMILESFc1ccc(Cl)c(Cn2ccc3cccc(Cl)c32)c1
InChIInChI=1S/C15H10Cl2FN/c16-13-5-4-12(18)8-11(13)9-19-7-6-10-2-1-3-14(17)15(10)19/h1-8H,9H2
InChIKeyGMPZXHXUWKVSIF-UHFFFAOYSA-N
XLogP5.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.16
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromo-4-fluorophenyl)methyl]-7-chloroindole
CID 103474913
2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-7-yl]ethanamine
CID 102917161
4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620303
1-[(5-bromo-2-fluorophenyl)methyl]-7-chloroindole
CID 103475026
7-chloro-1-[(2,6-difluorophenyl)methyl]indole
CID 103475121
1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole
CID 102620300
5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620287
[1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine
CID 102861922
1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole
CID 102861491
4-chloro-3-[(7-ethylindol-1-yl)methyl]aniline
CID 43169098
7-chloro-1-[(2,6-dimethylphenyl)methyl]indole
CID 103475380
7-chloro-1-[(2,4,6-trimethylphenyl)methyl]indole
CID 103475068

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole?
The IUPAC name of 7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole (CID 103475124) is 7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole.
What is the SMILES notation for 7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole?
The canonical SMILES for 7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole is Fc1ccc(Cl)c(Cn2ccc3cccc(Cl)c32)c1.
What is the InChIKey of 7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole?
The InChIKey is GMPZXHXUWKVSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN/c16-13-5-4-12(18)8-11(13)9-19-7-6-10-2-1-3-14(17)15(10)19/h1-8H,9H2.
What are the key properties of 7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole?
7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole has a molecular weight of 294.16 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole is sourced from PubChem (CID 103475124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).