N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(3-fluorophenyl)-2-methylpropanamide

C20H23FN2O3 — CID 48863912

IUPACN-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(3-fluorophenyl)-2-methylpropanamide
SMILESCCOc1ccc(NC(=O)CNC(=O)C(C)Cc2cccc(F)c2)cc1
InChIInChI=1S/C20H23FN2O3/c1-3-26-18-9-7-17(8-10-18)23-19(24)13-22-20(25)14(2)11-15-5-4-6-16(21)12-15/h4-10,12,14H,3,11,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyQFYHGHWLDZMUAA-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.16
Rot. Bonds8

About N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(3-fluorophenyl)-2-methylpropanamide

N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(3-fluorophenyl)-2-methylpropanamide (PubChem CID 48863912) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(3-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(3-fluorophenyl)-2-methylpropanamide
PubChem CID48863912
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(3-fluorophenyl)-2-methylpropanamide
SMILESCCOc1ccc(NC(=O)CNC(=O)C(C)Cc2cccc(F)c2)cc1
InChIInChI=1S/C20H23FN2O3/c1-3-26-18-9-7-17(8-10-18)23-19(24)13-22-20(25)14(2)11-15-5-4-6-16(21)12-15/h4-10,12,14H,3,11,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyQFYHGHWLDZMUAA-UHFFFAOYSA-N
XLogP3.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 28569623
4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 9412541
(2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 81425570
1-(4-ethoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61099189
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 29415155
2-(4-ethoxyphenyl)-N-(3-fluorophenyl)acetamide
CID 26579486
N-(4-ethoxyphenyl)-4-[[2-(3-fluoroanilino)acetyl]amino]benzamide
CID 9098933
ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate
CID 110359980
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18160151
N-(cyanomethyl)-3-(3-fluorophenyl)-2-methylpropanamide
CID 122156072

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(3-fluorophenyl)-2-methylpropanamide?
The IUPAC name of N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(3-fluorophenyl)-2-methylpropanamide (CID 48863912) is N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(3-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(3-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(3-fluorophenyl)-2-methylpropanamide is CCOc1ccc(NC(=O)CNC(=O)C(C)Cc2cccc(F)c2)cc1.
What is the InChIKey of N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(3-fluorophenyl)-2-methylpropanamide?
The InChIKey is QFYHGHWLDZMUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-3-26-18-9-7-17(8-10-18)23-19(24)13-22-20(25)14(2)11-15-5-4-6-16(21)12-15/h4-10,12,14H,3,11,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(3-fluorophenyl)-2-methylpropanamide?
N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(3-fluorophenyl)-2-methylpropanamide has a molecular weight of 358.41 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-(3-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 48863912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).