1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole

C16H13ClFN — CID 102620300

IUPAC1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole
SMILESCc1ccc2c(ccn2Cc2cc(F)ccc2Cl)c1
InChIInChI=1S/C16H13ClFN/c1-11-2-5-16-12(8-11)6-7-19(16)10-13-9-14(18)3-4-15(13)17/h2-9H,10H2,1H3
InChIKeyQCDUWOQKJNGFGJ-UHFFFAOYSA-N
MW273.74 g/mol
LogP4.79
Rot. Bonds2

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

1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole (PubChem CID 102620300) has the molecular formula C16H13ClFN and a molecular weight of 273.74 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole
PubChem CID102620300
Molecular FormulaC16H13ClFN
Molecular Weight273.74 g/mol
Exact Mass273.07
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole
SMILESCc1ccc2c(ccn2Cc2cc(F)ccc2Cl)c1
InChIInChI=1S/C16H13ClFN/c1-11-2-5-16-12(8-11)6-7-19(16)10-13-9-14(18)3-4-15(13)17/h2-9H,10H2,1H3
InChIKeyQCDUWOQKJNGFGJ-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

[4-fluoro-2-[(5-methylindol-1-yl)methyl]phenyl]methanamine
CID 64764833
5-bromo-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620287
1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole
CID 106870004
4-fluoro-2-[(5-methylindol-1-yl)methyl]benzoic acid
CID 107908248
7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 103475124
4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline
CID 43169100
1-[(5-chloro-2-methoxyphenyl)methyl]-5-fluoroindole
CID 63852001
4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620303
5-methyl-1-(naphthalen-1-ylmethyl)indole
CID 110831307
3-chloro-4-[(5-fluoroindol-1-yl)methyl]benzonitrile
CID 102670377
1-[(2-bromo-4-fluorophenyl)methyl]-5-fluoroindole
CID 63851490
6-fluoro-1-[(4-methylphenyl)methyl]indole
CID 22256864

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole (CID 102620300) is 1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole is Cc1ccc2c(ccn2Cc2cc(F)ccc2Cl)c1.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole?
The InChIKey is QCDUWOQKJNGFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN/c1-11-2-5-16-12(8-11)6-7-19(16)10-13-9-14(18)3-4-15(13)17/h2-9H,10H2,1H3.
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole?
1-[(2-chloro-5-fluorophenyl)methyl]-5-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-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole is sourced from PubChem (CID 102620300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).