N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide

C18H16F2N2O — CID 51150393

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCC(NC(=O)Cc1c[nH]c2ccccc12)c1ccc(F)cc1F
InChIInChI=1S/C18H16F2N2O/c1-11(14-7-6-13(19)9-16(14)20)22-18(23)8-12-10-21-17-5-3-2-4-15(12)17/h2-7,9-11,21H,8H2,1H3,(H,22,23)
InChIKeyNVZJCSCKYYFFFC-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.87
Rot. Bonds4

About N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide

N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 51150393) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID51150393
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCC(NC(=O)Cc1c[nH]c2ccccc12)c1ccc(F)cc1F
InChIInChI=1S/C18H16F2N2O/c1-11(14-7-6-13(19)9-16(14)20)22-18(23)8-12-10-21-17-5-3-2-4-15(12)17/h2-7,9-11,21H,8H2,1H3,(H,22,23)
InChIKeyNVZJCSCKYYFFFC-UHFFFAOYSA-N
XLogP3.87
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide
CID 113209373
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
(2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-1-(1H-indol-3-yl)propan-1-one
CID 8688138
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
2-(1H-indol-3-yl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 40810685
2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17427007
2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 78813976
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51077850
2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716224
N'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 31905428

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide (CID 51150393) is N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide is CC(NC(=O)Cc1c[nH]c2ccccc12)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is NVZJCSCKYYFFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O/c1-11(14-7-6-13(19)9-16(14)20)22-18(23)8-12-10-21-17-5-3-2-4-15(12)17/h2-7,9-11,21H,8H2,1H3,(H,22,23).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide?
N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 314.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 51150393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).