(2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone

C17H14FNO — CID 82092209

IUPAC(2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone
SMILESCc1ccc2[nH]c(C)c(C(=O)c3ccc(F)cc3)c2c1
InChIInChI=1S/C17H14FNO/c1-10-3-8-15-14(9-10)16(11(2)19-15)17(20)12-4-6-13(18)7-5-12/h3-9,19H,1-2H3
InChIKeySGCNVXXLJYOQIN-UHFFFAOYSA-N
MW267.30 g/mol
LogP4.15
Rot. Bonds2

About (2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone

(2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone (PubChem CID 82092209) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is (2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone
PubChem CID82092209
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name(2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone
SMILESCc1ccc2[nH]c(C)c(C(=O)c3ccc(F)cc3)c2c1
InChIInChI=1S/C17H14FNO/c1-10-3-8-15-14(9-10)16(11(2)19-15)17(20)12-4-6-13(18)7-5-12/h3-9,19H,1-2H3
InChIKeySGCNVXXLJYOQIN-UHFFFAOYSA-N
XLogP4.15
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluorophenyl)-(6-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 154187614
1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82079500
(6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430942
2,5-dimethyl-N-propyl-1H-indole-3-carboxamide
CID 65335283
3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide
CID 53367407
(5-fluoro-2-methyl-1H-pyrrol-3-yl)-(4-methylphenyl)methanone
CID 102584470
3-[(2,5-dimethyl-1H-indole-3-carbonyl)amino]propanoic acid
CID 110835922
(3,5-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159976
1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 51342127
(2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 43339219
6-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 82402312
4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579471

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone (CID 82092209) is (2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone is Cc1ccc2[nH]c(C)c(C(=O)c3ccc(F)cc3)c2c1.
What is the InChIKey of (2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone?
The InChIKey is SGCNVXXLJYOQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c1-10-3-8-15-14(9-10)16(11(2)19-15)17(20)12-4-6-13(18)7-5-12/h3-9,19H,1-2H3.
What are the key properties of (2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone?
(2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone has a molecular weight of 267.30 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1H-indol-3-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 82092209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).