5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole

C15H10Cl2FN — CID 116623355

IUPAC5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
SMILESFc1cccc(Cn2ccc3cc(Cl)ccc32)c1Cl
InChIInChI=1S/C15H10Cl2FN/c16-12-4-5-14-10(8-12)6-7-19(14)9-11-2-1-3-13(18)15(11)17/h1-8H,9H2
InChIKeyXPPCVFJJEWDULT-UHFFFAOYSA-N
MW294.16 g/mol
LogP5.14
Rot. Bonds2

About 5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole

5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole (PubChem CID 116623355) has the molecular formula C15H10Cl2FN and a molecular weight of 294.16 g/mol. Its IUPAC name is 5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole.

Molecular Properties

Compound Name5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
PubChem CID116623355
Molecular FormulaC15H10Cl2FN
Molecular Weight294.16 g/mol
Exact Mass293.02
IUPAC Name5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
SMILESFc1cccc(Cn2ccc3cc(Cl)ccc32)c1Cl
InChIInChI=1S/C15H10Cl2FN/c16-12-4-5-14-10(8-12)6-7-19(14)9-11-2-1-3-13(18)15(11)17/h1-8H,9H2
InChIKeyXPPCVFJJEWDULT-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

2-[1-[(2-chloro-3-fluorophenyl)methyl]indol-6-yl]ethanamine
CID 102917786
4-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
CID 116623871
2-[(5-chloroindol-1-yl)methyl]benzoic acid
CID 63880241
[1-[(2-chloro-3-fluorophenyl)methyl]indol-7-yl]methanamine
CID 115984379
1-[(5-chloro-2-fluorophenyl)methyl]indole-5-carbonitrile
CID 107920285
5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole
CID 116623121
1-[(4-chloro-2-fluorophenyl)methyl]indole-5-carbaldehyde
CID 102910413
6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole
CID 114859541
1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole
CID 114859510
1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole
CID 63852001
1-[(2-bromo-3-fluorophenyl)methyl]indole-5-carbonitrile
CID 107920156
1-[(2,3-difluorophenyl)methyl]indole-5-carbothioamide
CID 107920707

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole?
The IUPAC name of 5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole (CID 116623355) is 5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole.
What is the SMILES notation for 5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole?
The canonical SMILES for 5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole is Fc1cccc(Cn2ccc3cc(Cl)ccc32)c1Cl.
What is the InChIKey of 5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole?
The InChIKey is XPPCVFJJEWDULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN/c16-12-4-5-14-10(8-12)6-7-19(14)9-11-2-1-3-13(18)15(11)17/h1-8H,9H2.
What are the key properties of 5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole?
5-chloro-1-[(2-chloro-3-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 5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole is sourced from PubChem (CID 116623355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).