1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one

C20H20FNO — CID 4655393

IUPAC1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cn(Cc2ccccc2F)c2ccccc12
InChIInChI=1S/C20H20FNO/c1-20(2,3)19(23)16-13-22(18-11-7-5-9-15(16)18)12-14-8-4-6-10-17(14)21/h4-11,13H,12H2,1-3H3
InChIKeyQKYASWNXGGFLTA-UHFFFAOYSA-N
MW309.38 g/mol
LogP5.06
Rot. Bonds3

About 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one

1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one (PubChem CID 4655393) has the molecular formula C20H20FNO and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one
PubChem CID4655393
Molecular FormulaC20H20FNO
Molecular Weight309.38 g/mol
Exact Mass309.15
IUPAC Name1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cn(Cc2ccccc2F)c2ccccc12
InChIInChI=1S/C20H20FNO/c1-20(2,3)19(23)16-13-22(18-11-7-5-9-15(16)18)12-14-8-4-6-10-17(14)21/h4-11,13H,12H2,1-3H3
InChIKeyQKYASWNXGGFLTA-UHFFFAOYSA-N
XLogP5.06
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.38
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]indole-3-carboxamide
CID 71024492
methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate
CID 2973654
1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid
CID 43316624
1-[7-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]ethanone
CID 117098756
4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanoic acid
CID 53212403
2,2-dimethyl-1-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]propan-1-one
CID 1095445
2,2-dimethyl-1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]propan-1-one
CID 4320218
N-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide
CID 4028183
1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid
CID 91690124
2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride
CID 14069757
2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one
CID 3965058
1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid
CID 114346298

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one (CID 4655393) is 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cn(Cc2ccccc2F)c2ccccc12.
What is the InChIKey of 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one?
The InChIKey is QKYASWNXGGFLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO/c1-20(2,3)19(23)16-13-22(18-11-7-5-9-15(16)18)12-14-8-4-6-10-17(14)21/h4-11,13H,12H2,1-3H3.
What are the key properties of 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one?
1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one has a molecular weight of 309.38 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 4655393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).