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

C16H11ClFNO — CID 103474322

IUPAC(7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)c1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C16H11ClFNO/c1-9-7-10(18)5-6-11(9)16(20)13-8-19-15-12(13)3-2-4-14(15)17/h2-8,19H,1H3
InChIKeyOSYRMXLXQZUCNE-UHFFFAOYSA-N
MW287.72 g/mol
LogP4.50
Rot. Bonds2

About (7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone

(7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone (PubChem CID 103474322) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is (7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone
PubChem CID103474322
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name(7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)c1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C16H11ClFNO/c1-9-7-10(18)5-6-11(9)16(20)13-8-19-15-12(13)3-2-4-14(15)17/h2-8,19H,1H3
InChIKeyOSYRMXLXQZUCNE-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-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475589
(7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone
CID 103474439
(7-chloro-1H-indol-3-yl)-(2-chlorophenyl)methanone
CID 103474468
(7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone
CID 103474392
(7-chloro-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 103474297
(2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475626
(3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475637
(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163503
1-(7-chloro-1H-indol-3-yl)propan-1-one
CID 103474389
(4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 79591384
1-(7-chloro-1H-indol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103474400
(2,3-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 79020544

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of (7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone (CID 103474322) is (7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone is Cc1cc(F)ccc1C(=O)c1c[nH]c2c(Cl)cccc12.
What is the InChIKey of (7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is OSYRMXLXQZUCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c1-9-7-10(18)5-6-11(9)16(20)13-8-19-15-12(13)3-2-4-14(15)17/h2-8,19H,1H3.
What are the key properties of (7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone?
(7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)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 (7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 103474322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).