(2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone

C16H11ClFNO — CID 106860788

IUPAC(2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
SMILESCc1ccc(C(=O)c2c[nH]c3cc(F)ccc23)c(Cl)c1
InChIInChI=1S/C16H11ClFNO/c1-9-2-4-12(14(17)6-9)16(20)13-8-19-15-7-10(18)3-5-11(13)15/h2-8,19H,1H3
InChIKeyJZACSEBPGKEOOE-UHFFFAOYSA-N
MW287.72 g/mol
LogP4.50
Rot. Bonds2

About (2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone

(2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone (PubChem CID 106860788) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
PubChem CID106860788
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name(2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
SMILESCc1ccc(C(=O)c2c[nH]c3cc(F)ccc23)c(Cl)c1
InChIInChI=1S/C16H11ClFNO/c1-9-2-4-12(14(17)6-9)16(20)13-8-19-15-7-10(18)3-5-11(13)15/h2-8,19H,1H3
InChIKeyJZACSEBPGKEOOE-UHFFFAOYSA-N
XLogP4.50
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163503
(5-bromo-2-chlorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43378890
(3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81323304
(3-chloro-2-fluorophenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81266663
(6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43342087
(5-chloro-2-methoxyphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163494
(2,3-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43342049
3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107916673
(3-amino-5-bromo-2-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107874151
(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43159718
(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63187418
(6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63209854

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of (2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone (CID 106860788) is (2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for (2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone is Cc1ccc(C(=O)c2c[nH]c3cc(F)ccc23)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone?
The InChIKey is JZACSEBPGKEOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c1-9-2-4-12(14(17)6-9)16(20)13-8-19-15-7-10(18)3-5-11(13)15/h2-8,19H,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone?
(2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone has a molecular weight of 287.72 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 106860788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).