2-(4-chlorophenoxy)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide

C20H20ClFN2O2 — CID 60607081

IUPAC2-(4-chlorophenoxy)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C20H20ClFN2O2/c1-20(2,26-16-6-3-14(21)4-7-16)19(25)23-10-9-13-12-24-18-11-15(22)5-8-17(13)18/h3-8,11-12,24H,9-10H2,1-2H3,(H,23,25)
InChIKeyPHXCSQRTLIFMIE-UHFFFAOYSA-N
MW374.84 g/mol
LogP4.48
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide (PubChem CID 60607081) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
PubChem CID60607081
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC Name2-(4-chlorophenoxy)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C20H20ClFN2O2/c1-20(2,26-16-6-3-14(21)4-7-16)19(25)23-10-9-13-12-24-18-11-15(22)5-8-17(13)18/h3-8,11-12,24H,9-10H2,1-2H3,(H,23,25)
InChIKeyPHXCSQRTLIFMIE-UHFFFAOYSA-N
XLogP4.48
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylpropanamide
CID 71910218
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide
CID 119706151
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride
CID 119280013
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 49408941
2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 113209917
2-(4-chlorophenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
CID 34995850
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide
CID 113083843
N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide
CID 113206229

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide (CID 60607081) is 2-(4-chlorophenoxy)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide?
The InChIKey is PHXCSQRTLIFMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c1-20(2,26-16-6-3-14(21)4-7-16)19(25)23-10-9-13-12-24-18-11-15(22)5-8-17(13)18/h3-8,11-12,24H,9-10H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide has a molecular weight of 374.84 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 60607081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).