N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide

C20H21FN2O2 — CID 110789127

IUPACN-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide
SMILESCc1c(CCNC(=O)COc2ccc(F)cc2)c2ccccc2n1C
InChIInChI=1S/C20H21FN2O2/c1-14-17(18-5-3-4-6-19(18)23(14)2)11-12-22-20(24)13-25-16-9-7-15(21)8-10-16/h3-10H,11-13H2,1-2H3,(H,22,24)
InChIKeyKYTIDVDPNFWCAJ-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.36
Rot. Bonds6

About N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide

N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 110789127) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide
PubChem CID110789127
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide
SMILESCc1c(CCNC(=O)COc2ccc(F)cc2)c2ccccc2n1C
InChIInChI=1S/C20H21FN2O2/c1-14-17(18-5-3-4-6-19(18)23(14)2)11-12-22-20(24)13-25-16-9-7-15(21)8-10-16/h3-10H,11-13H2,1-2H3,(H,22,24)
InChIKeyKYTIDVDPNFWCAJ-UHFFFAOYSA-N
XLogP3.36
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(1,2-dimethylindol-3-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110782421
2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113211396
N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide
CID 113085569
N-[(1,2-dimethylindol-3-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 110782432
2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 110768837
2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 110712039
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 113085913
2-[4-(4-fluorobenzoyl)phenoxy]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 9289810
2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429392
2-(4-fluorophenoxy)-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110792282
2-(4-fluorophenoxy)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide
CID 110718630
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide (CID 110789127) is N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide is Cc1c(CCNC(=O)COc2ccc(F)cc2)c2ccccc2n1C.
What is the InChIKey of N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is KYTIDVDPNFWCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-14-17(18-5-3-4-6-19(18)23(14)2)11-12-22-20(24)13-25-16-9-7-15(21)8-10-16/h3-10H,11-13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide?
N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 340.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 110789127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).