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

C15H10Cl2FN — CID 102620303

IUPAC4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
SMILESFc1ccc(Cl)c(Cn2ccc3c(Cl)cccc32)c1
InChIInChI=1S/C15H10Cl2FN/c16-13-5-4-11(18)8-10(13)9-19-7-6-12-14(17)2-1-3-15(12)19/h1-8H,9H2
InChIKeyGTIRSTPEYVEYCQ-UHFFFAOYSA-N
MW294.16 g/mol
LogP5.14
Rot. Bonds2

About 4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole

4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole (PubChem CID 102620303) has the molecular formula C15H10Cl2FN and a molecular weight of 294.16 g/mol. Its IUPAC name is 4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole.

Molecular Properties

Compound Name4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
PubChem CID102620303
Molecular FormulaC15H10Cl2FN
Molecular Weight294.16 g/mol
Exact Mass293.02
IUPAC Name4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
SMILESFc1ccc(Cl)c(Cn2ccc3c(Cl)cccc32)c1
InChIInChI=1S/C15H10Cl2FN/c16-13-5-4-11(18)8-10(13)9-19-7-6-12-14(17)2-1-3-15(12)19/h1-8H,9H2
InChIKeyGTIRSTPEYVEYCQ-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

4-chloro-1-[(2,5-difluorophenyl)methyl]indole
CID 116623695
4-chloro-1-[(2,4-difluorophenyl)methyl]indole
CID 116623841
4-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
CID 116623871
7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 103475124
4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole
CID 106870007
[1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine
CID 114346645
3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide
CID 116623731
5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620287
1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole
CID 102620300
2-[1-[(2-chloro-5-fluorophenyl)methyl]indol-3-yl]ethanamine
CID 102620112
3-chloro-4-[(4-chloroindol-1-yl)methyl]benzonitrile
CID 102670424
4-chloro-1-[(3,5-dimethylphenyl)methyl]indole
CID 116623712

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole?
The IUPAC name of 4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole (CID 102620303) is 4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole.
What is the SMILES notation for 4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole?
The canonical SMILES for 4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole is Fc1ccc(Cl)c(Cn2ccc3c(Cl)cccc32)c1.
What is the InChIKey of 4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole?
The InChIKey is GTIRSTPEYVEYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN/c16-13-5-4-11(18)8-10(13)9-19-7-6-12-14(17)2-1-3-15(12)19/h1-8H,9H2.
What are the key properties of 4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole?
4-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 4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole is sourced from PubChem (CID 102620303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).