N-(3,5-difluoro-4-methoxyphenyl)-2-indol-1-ylacetamide

C17H14F2N2O2 — CID 87042646

IUPACN-(3,5-difluoro-4-methoxyphenyl)-2-indol-1-ylacetamide
SMILESCOc1c(F)cc(NC(=O)Cn2ccc3ccccc32)cc1F
InChIInChI=1S/C17H14F2N2O2/c1-23-17-13(18)8-12(9-14(17)19)20-16(22)10-21-7-6-11-4-2-3-5-15(11)21/h2-9H,10H2,1H3,(H,20,22)
InChIKeyBDWDOEFVNIPFAS-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.57
Rot. Bonds4

About N-(3,5-difluoro-4-methoxyphenyl)-2-indol-1-ylacetamide

N-(3,5-difluoro-4-methoxyphenyl)-2-indol-1-ylacetamide (PubChem CID 87042646) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is N-(3,5-difluoro-4-methoxyphenyl)-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-methoxyphenyl)-2-indol-1-ylacetamide
PubChem CID87042646
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC NameN-(3,5-difluoro-4-methoxyphenyl)-2-indol-1-ylacetamide
SMILESCOc1c(F)cc(NC(=O)Cn2ccc3ccccc32)cc1F
InChIInChI=1S/C17H14F2N2O2/c1-23-17-13(18)8-12(9-14(17)19)20-16(22)10-21-7-6-11-4-2-3-5-15(11)21/h2-9H,10H2,1H3,(H,20,22)
InChIKeyBDWDOEFVNIPFAS-UHFFFAOYSA-N
XLogP3.57
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
2-(5-methoxyindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 29133435
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-indol-1-ylacetamide
CID 87039835
N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide
CID 4058006
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
N-(3-amino-4-chlorophenyl)-2-indol-1-ylacetamide
CID 43134811
N-(2-amino-5-fluorophenyl)-2-indol-1-ylacetamide
CID 43611958
2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110702432
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
N-(2,4-difluoro-6-phenylphenyl)-2-(5-methoxyindol-1-yl)acetamide
CID 86843668
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide
CID 39339095

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-methoxyphenyl)-2-indol-1-ylacetamide?
The IUPAC name of N-(3,5-difluoro-4-methoxyphenyl)-2-indol-1-ylacetamide (CID 87042646) is N-(3,5-difluoro-4-methoxyphenyl)-2-indol-1-ylacetamide.
What is the SMILES notation for N-(3,5-difluoro-4-methoxyphenyl)-2-indol-1-ylacetamide?
The canonical SMILES for N-(3,5-difluoro-4-methoxyphenyl)-2-indol-1-ylacetamide is COc1c(F)cc(NC(=O)Cn2ccc3ccccc32)cc1F.
What is the InChIKey of N-(3,5-difluoro-4-methoxyphenyl)-2-indol-1-ylacetamide?
The InChIKey is BDWDOEFVNIPFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c1-23-17-13(18)8-12(9-14(17)19)20-16(22)10-21-7-6-11-4-2-3-5-15(11)21/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of N-(3,5-difluoro-4-methoxyphenyl)-2-indol-1-ylacetamide?
N-(3,5-difluoro-4-methoxyphenyl)-2-indol-1-ylacetamide has a molecular weight of 316.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-methoxyphenyl)-2-indol-1-ylacetamide is sourced from PubChem (CID 87042646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).