1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole

C16H13ClFN — CID 107887790

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole
SMILESCc1cccc2c1ccn2Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H13ClFN/c1-11-3-2-4-16-13(11)7-8-19(16)10-12-5-6-14(17)15(18)9-12/h2-9H,10H2,1H3
InChIKeyAUEIYIDEMVIMKI-UHFFFAOYSA-N
MW273.74 g/mol
LogP4.79
Rot. Bonds2

About 1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole

1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole (PubChem CID 107887790) has the molecular formula C16H13ClFN and a molecular weight of 273.74 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole
PubChem CID107887790
Molecular FormulaC16H13ClFN
Molecular Weight273.74 g/mol
Exact Mass273.07
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole
SMILESCc1cccc2c1ccn2Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C16H13ClFN/c1-11-3-2-4-16-13(11)7-8-19(16)10-12-5-6-14(17)15(18)9-12/h2-9H,10H2,1H3
InChIKeyAUEIYIDEMVIMKI-UHFFFAOYSA-N
XLogP4.79
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-4-methylindole
CID 116620210
[4-fluoro-3-[(4-methylindol-1-yl)methyl]phenyl]methanamine
CID 43342104
1-[(4-ethylphenyl)methyl]-4-fluoroindole
CID 82792470
4-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116625944
4-bromo-1-[(3,4-dichlorophenyl)methyl]indole
CID 116626065
3-[(4-methylindol-1-yl)methyl]benzamide
CID 116620217
4-chloro-1-[(3,5-dimethylphenyl)methyl]indole
CID 116623712
[1-[(3,4-difluorophenyl)methyl]indol-4-yl]methanamine
CID 82920553
1-[(3-chloro-4-fluorophenyl)methyl]indole-4-carbothioamide
CID 107919278
1-[(4-bromophenyl)methyl]-4-fluoroindole
CID 82793563
2-[1-[(3,4-difluorophenyl)methyl]indol-4-yl]ethanamine
CID 82926195
1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole
CID 82795364

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole (CID 107887790) is 1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole is Cc1cccc2c1ccn2Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole?
The InChIKey is AUEIYIDEMVIMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN/c1-11-3-2-4-16-13(11)7-8-19(16)10-12-5-6-14(17)15(18)9-12/h2-9H,10H2,1H3.
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole?
1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole has a molecular weight of 273.74 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole is sourced from PubChem (CID 107887790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).