2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylbutanamide

C19H17F3N2O — CID 175850685

IUPAC2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylbutanamide
SMILESCCC(C(=O)NC)c1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C19H17F3N2O/c1-3-13(19(25)23-2)16-14-8-12(21)9-15(22)18(14)24-17(16)10-4-6-11(20)7-5-10/h4-9,13,24H,3H2,1-2H3,(H,23,25)
InChIKeySSNMTRGBSYWIFF-UHFFFAOYSA-N
MW346.35 g/mol
LogP4.49
Rot. Bonds4

About 2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylbutanamide

2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylbutanamide (PubChem CID 175850685) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylbutanamide.

Molecular Properties

Compound Name2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylbutanamide
PubChem CID175850685
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylbutanamide
SMILESCCC(C(=O)NC)c1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12
InChIInChI=1S/C19H17F3N2O/c1-3-13(19(25)23-2)16-14-8-12(21)9-15(22)18(14)24-17(16)10-4-6-11(20)7-5-10/h4-9,13,24H,3H2,1-2H3,(H,23,25)
InChIKeySSNMTRGBSYWIFF-UHFFFAOYSA-N
XLogP4.49
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]butanoic acid
CID 175850702
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2,2-difluoropropanamide
CID 166585914
(2S)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-2-hydroxypropanoic acid
CID 154961832
CID 172606686
CID 172606686
CID 172606539
CID 172606539
[N'-[2-(methylamino)-2-oxoethyl]carbamimidoyl] 5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carboximidate
CID 172606728
(2S)-N-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]cyclobutyl]-2-hydroxypropanamide
CID 177116306
N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-hydroxyacetamide
CID 166585643
(2S)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-hydroxypropanamide
CID 162389653
1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 166586116
5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbaldehyde;5,7-difluoro-2-(4-fluorophenyl)-1H-indole-3-carbohydrazide;ethane;methoxymethane
CID 172606579
3-(2,4-dimethylpentyl)-5,7-difluoro-2-(4-fluorophenyl)-1H-indole
CID 166687115

Frequently Asked Questions

What is the IUPAC name of 2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylbutanamide?
The IUPAC name of 2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylbutanamide (CID 175850685) is 2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylbutanamide.
What is the SMILES notation for 2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylbutanamide?
The canonical SMILES for 2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylbutanamide is CCC(C(=O)NC)c1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12.
What is the InChIKey of 2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylbutanamide?
The InChIKey is SSNMTRGBSYWIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c1-3-13(19(25)23-2)16-14-8-12(21)9-15(22)18(14)24-17(16)10-4-6-11(20)7-5-10/h4-9,13,24H,3H2,1-2H3,(H,23,25).
What are the key properties of 2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylbutanamide?
2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylbutanamide has a molecular weight of 346.35 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylbutanamide is sourced from PubChem (CID 175850685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).