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N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)propanamide

C20H22F2N2O3 — CID 134051655

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)NC(C(=O)NC)c1ccc(F)c(F)c1
InChIInChI=1S/C20H22F2N2O3/c1-3-27-17-7-5-4-6-13(17)9-11-18(25)24-19(20(26)23-2)14-8-10-15(21)16(22)12-14/h4-8,10,12,19H,3,9,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyZHQVKFWGTMBGEN-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.90
Rot. Bonds8

About N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)propanamide

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)propanamide (PubChem CID 134051655) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)propanamide
PubChem CID134051655
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)NC(C(=O)NC)c1ccc(F)c(F)c1
InChIInChI=1S/C20H22F2N2O3/c1-3-27-17-7-5-4-6-13(17)9-11-18(25)24-19(20(26)23-2)14-8-10-15(21)16(22)12-14/h4-8,10,12,19H,3,9,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyZHQVKFWGTMBGEN-UHFFFAOYSA-N
XLogP2.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)propanamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)propanamide (CID 134051655) is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)propanamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)propanamide is CCOc1ccccc1CCC(=O)NC(C(=O)NC)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)propanamide?
The InChIKey is ZHQVKFWGTMBGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-3-27-17-7-5-4-6-13(17)9-11-18(25)24-19(20(26)23-2)14-8-10-15(21)16(22)12-14/h4-8,10,12,19H,3,9,11H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)propanamide?
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)propanamide has a molecular weight of 376.40 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 134051655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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