3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide

C18H19FN2O4 — CID 17419390

IUPAC3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide
SMILESCOc1ccc(OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O4/c1-24-15-6-8-16(9-7-15)25-12-18(23)21(11-10-17(20)22)14-4-2-13(19)3-5-14/h2-9H,10-12H2,1H3,(H2,20,22)
InChIKeyVPBUQNROGWENFF-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.12
Rot. Bonds8

About 3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide

3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide (PubChem CID 17419390) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide
PubChem CID17419390
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide
SMILESCOc1ccc(OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O4/c1-24-15-6-8-16(9-7-15)25-12-18(23)21(11-10-17(20)22)14-4-2-13(19)3-5-14/h2-9H,10-12H2,1H3,(H2,20,22)
InChIKeyVPBUQNROGWENFF-UHFFFAOYSA-N
XLogP2.12
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-N-[2-(4-nitrophenoxy)acetyl]anilino)propanamide
CID 27310527
3-(N-[2-[4-(4-fluorobenzoyl)phenoxy]acetyl]anilino)propanamide
CID 37324442
3-[4-fluoro-N-[3-(4-methoxyphenyl)sulfanylpropanoyl]anilino]propanamide
CID 99164681
3-(4-fluoro-N-[2-[2-(4-fluorophenoxy)ethyl-methylamino]acetyl]anilino)propanamide
CID 34721565
3-(4-fluoro-N-[2-(2,4,5-trichlorophenoxy)acetyl]anilino)propanamide
CID 27316862
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 26961717
2-(4-aminophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 61027807
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 24526221
3-(4-fluoro-N-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]anilino)propanamide
CID 34688622
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55448882
3-(4-fluoro-N-(2-methoxyacetyl)anilino)propanoic acid
CID 82321758
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 24526825

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide?
The IUPAC name of 3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide (CID 17419390) is 3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide.
What is the SMILES notation for 3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide?
The canonical SMILES for 3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide is COc1ccc(OCC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide?
The InChIKey is VPBUQNROGWENFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-24-15-6-8-16(9-7-15)25-12-18(23)21(11-10-17(20)22)14-4-2-13(19)3-5-14/h2-9H,10-12H2,1H3,(H2,20,22).
What are the key properties of 3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide?
3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide has a molecular weight of 346.36 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide is sourced from PubChem (CID 17419390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).