2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide

C19H21FN2O4 — CID 42990044

IUPAC2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)C(C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN2O4/c1-13(26-16-9-7-14(20)8-10-16)19(24)22(2)12-18(23)21-15-5-4-6-17(11-15)25-3/h4-11,13H,12H2,1-3H3,(H,21,23)
InChIKeySSZHPLGSSCIIIL-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.70
Rot. Bonds7

About 2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide

2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 42990044) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
PubChem CID42990044
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)C(C)Oc2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN2O4/c1-13(26-16-9-7-14(20)8-10-16)19(24)22(2)12-18(23)21-15-5-4-6-17(11-15)25-3/h4-11,13H,12H2,1-3H3,(H,21,23)
InChIKeySSZHPLGSSCIIIL-UHFFFAOYSA-N
XLogP2.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 16546591
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-(2-anilino-2-oxoethyl)-N-methyl-2-(4-methylphenoxy)propanamide
CID 46808222
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide
CID 18104430
(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide
CID 8917521
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
CID 8555923
N-[(3-fluorophenyl)methyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 46561832
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 8688399
(2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide
CID 94777102
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 8555354
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide (CID 42990044) is 2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide is COc1cccc(NC(=O)CN(C)C(=O)C(C)Oc2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is SSZHPLGSSCIIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-13(26-16-9-7-14(20)8-10-16)19(24)22(2)12-18(23)21-15-5-4-6-17(11-15)25-3/h4-11,13H,12H2,1-3H3,(H,21,23).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide?
2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 360.39 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 42990044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).