N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide

C20H21FN2O4 — CID 113206746

IUPACN-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)NCCc3ccc(F)cc3)c2c(OC)c1OC
InChIInChI=1S/C20H21FN2O4/c1-25-16-10-15-17(19(27-3)18(16)26-2)14(11-23-15)20(24)22-9-8-12-4-6-13(21)7-5-12/h4-7,10-11,23H,8-9H2,1-3H3,(H,22,24)
InChIKeyCLLIUKMADZFZAS-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.31
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide (PubChem CID 113206746) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide
PubChem CID113206746
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)NCCc3ccc(F)cc3)c2c(OC)c1OC
InChIInChI=1S/C20H21FN2O4/c1-25-16-10-15-17(19(27-3)18(16)26-2)14(11-23-15)20(24)22-9-8-12-4-6-13(21)7-5-12/h4-7,10-11,23H,8-9H2,1-3H3,(H,22,24)
InChIKeyCLLIUKMADZFZAS-UHFFFAOYSA-N
XLogP3.31
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206747
4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 113206742
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206798
4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206727
1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217101
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9210501
N-(2-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206787
4,5,6-trimethoxy-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-3-carboxamide
CID 113206750
4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide
CID 113206816
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 49408941
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206560

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide (CID 113206746) is N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide is COc1cc2[nH]cc(C(=O)NCCc3ccc(F)cc3)c2c(OC)c1OC.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide?
The InChIKey is CLLIUKMADZFZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-25-16-10-15-17(19(27-3)18(16)26-2)14(11-23-15)20(24)22-9-8-12-4-6-13(21)7-5-12/h4-7,10-11,23H,8-9H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113206746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).