(3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone

C16H11ClFNO — CID 81323304

IUPAC(3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
SMILESCc1cc(Cl)cc(C(=O)c2c[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C16H11ClFNO/c1-9-4-10(6-11(17)5-9)16(20)14-8-19-15-7-12(18)2-3-13(14)15/h2-8,19H,1H3
InChIKeyOKRBPDBHCBZZER-UHFFFAOYSA-N
MW287.72 g/mol
LogP4.50
Rot. Bonds2

About (3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone

(3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone (PubChem CID 81323304) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
PubChem CID81323304
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name(3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
SMILESCc1cc(Cl)cc(C(=O)c2c[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C16H11ClFNO/c1-9-4-10(6-11(17)5-9)16(20)14-8-19-15-7-12(18)2-3-13(14)15/h2-8,19H,1H3
InChIKeyOKRBPDBHCBZZER-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

(6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43342087
(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
(2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 106860788
(5-bromo-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 81324072
3-(3-fluoro-5-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107916705
(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163503
3-(3-chloro-5-methylbenzoyl)-1H-indole-5-carbonitrile
CID 107919914
(7-chloro-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 103474297
(5-chloro-2-methoxyphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163494
(3-bromo-5-chlorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 107949781
(3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164261

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of (3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone (CID 81323304) is (3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for (3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone is Cc1cc(Cl)cc(C(=O)c2c[nH]c3cc(F)ccc23)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone?
The InChIKey is OKRBPDBHCBZZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c1-9-4-10(6-11(17)5-9)16(20)14-8-19-15-7-12(18)2-3-13(14)15/h2-8,19H,1H3.
What are the key properties of (3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone?
(3-chloro-5-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 (3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 81323304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).