2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide

C19H18FN3O3 — CID 16546591

IUPAC2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)N(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H18FN3O3/c1-13(26-17-8-6-14(11-21)7-9-17)19(25)23(2)12-18(24)22-16-5-3-4-15(20)10-16/h3-10,13H,12H2,1-2H3,(H,22,24)
InChIKeySRIPWLSAEAMHTC-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.56
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide

2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 16546591) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
PubChem CID16546591
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)N(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H18FN3O3/c1-13(26-17-8-6-14(11-21)7-9-17)19(25)23(2)12-18(24)22-16-5-3-4-15(20)10-16/h3-10,13H,12H2,1-2H3,(H,22,24)
InChIKeySRIPWLSAEAMHTC-UHFFFAOYSA-N
XLogP2.56
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 51144723
2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
CID 42990044
2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid
CID 43092177
N-(2-anilino-2-oxoethyl)-N-methyl-2-(4-methylphenoxy)propanamide
CID 46808222
2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 7966651
(2S)-2-(4-cyanophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylpropanamide
CID 34737309
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide
CID 86921453
N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide
CID 43176837
[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984052
(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide
CID 8917521
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide
CID 18104430
2-(4-cyanophenoxy)-N,N-dimethylpropanamide
CID 17400502

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide (CID 16546591) is 2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide is CC(Oc1ccc(C#N)cc1)C(=O)N(C)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is SRIPWLSAEAMHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-13(26-17-8-6-14(11-21)7-9-17)19(25)23(2)12-18(24)22-16-5-3-4-15(20)10-16/h3-10,13H,12H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?
2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 355.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 16546591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).