N-carbamoyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide

C12H16FN3O3 — CID 63064124

IUPACN-carbamoyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide
SMILESCNC(C)c1ccc(F)cc1OCC(=O)NC(N)=O
InChIInChI=1S/C12H16FN3O3/c1-7(15-2)9-4-3-8(13)5-10(9)19-6-11(17)16-12(14)18/h3-5,7,15H,6H2,1-2H3,(H3,14,16,17,18)
InChIKeySEEWYSIJEQUNMB-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.68
Rot. Bonds5

About N-carbamoyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide

N-carbamoyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide (PubChem CID 63064124) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is N-carbamoyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide
PubChem CID63064124
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC NameN-carbamoyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide
SMILESCNC(C)c1ccc(F)cc1OCC(=O)NC(N)=O
InChIInChI=1S/C12H16FN3O3/c1-7(15-2)9-4-3-8(13)5-10(9)19-6-11(17)16-12(14)18/h3-5,7,15H,6H2,1-2H3,(H3,14,16,17,18)
InChIKeySEEWYSIJEQUNMB-UHFFFAOYSA-N
XLogP0.68
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63066020
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide
CID 78936103
methyl 3-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]-2,2-dimethylpropanoate
CID 79629302
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-carbamoylacetamide
CID 63650860
1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine
CID 63065355
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 63368195
2-[2-(1-aminoethyl)-5-fluorophenoxy]acetamide
CID 63066360
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78935841
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63064235
N-carbamoyl-2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]propanamide
CID 63066392
methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate
CID 63066050
1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine
CID 63485682

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide?
The IUPAC name of N-carbamoyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide (CID 63064124) is N-carbamoyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide.
What is the SMILES notation for N-carbamoyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide?
The canonical SMILES for N-carbamoyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide is CNC(C)c1ccc(F)cc1OCC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide?
The InChIKey is SEEWYSIJEQUNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-7(15-2)9-4-3-8(13)5-10(9)19-6-11(17)16-12(14)18/h3-5,7,15H,6H2,1-2H3,(H3,14,16,17,18).
What are the key properties of N-carbamoyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide?
N-carbamoyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide has a molecular weight of 269.28 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide is sourced from PubChem (CID 63064124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).