N-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide

C20H21FN2O2 — CID 18119969

IUPACN-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N(C)CCOc3ccccc3F)cc2c1C
InChIInChI=1S/C20H21FN2O2/c1-13-14(2)22-18-9-8-15(12-16(13)18)20(24)23(3)10-11-25-19-7-5-4-6-17(19)21/h4-9,12,22H,10-11H2,1-3H3
InChIKeyKFZTUAHQACORAX-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.07
Rot. Bonds5

About N-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide

N-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide (PubChem CID 18119969) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide
PubChem CID18119969
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N(C)CCOc3ccccc3F)cc2c1C
InChIInChI=1S/C20H21FN2O2/c1-13-14(2)22-18-9-8-15(12-16(13)18)20(24)23(3)10-11-25-19-7-5-4-6-17(19)21/h4-9,12,22H,10-11H2,1-3H3
InChIKeyKFZTUAHQACORAX-UHFFFAOYSA-N
XLogP4.07
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-N-methylnaphthalene-2-carboxamide
CID 26960272
3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 134044702
6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60675865
2-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 60692835
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 18119993
2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 61294548
3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 60936955
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 17412880
N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide
CID 18120040
N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-1H-indole-5-carboxamide
CID 34909087
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 26960552
N-[2-(2-fluorophenoxy)ethyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31342972

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide (CID 18119969) is N-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)N(C)CCOc3ccccc3F)cc2c1C.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide?
The InChIKey is KFZTUAHQACORAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-13-14(2)22-18-9-8-15(12-16(13)18)20(24)23(3)10-11-25-19-7-5-4-6-17(19)21/h4-9,12,22H,10-11H2,1-3H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 18119969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).