N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide

C12H16FN3O3 — CID 107687126

IUPACN-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide
SMILESCCNCc1ccc(OCC(=O)NC(N)=O)c(F)c1
InChIInChI=1S/C12H16FN3O3/c1-2-15-6-8-3-4-10(9(13)5-8)19-7-11(17)16-12(14)18/h3-5,15H,2,6-7H2,1H3,(H3,14,16,17,18)
InChIKeyYCLKVSIVPAJGBU-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.51
Rot. Bonds6

About N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide

N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide (PubChem CID 107687126) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide
PubChem CID107687126
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC NameN-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide
SMILESCCNCc1ccc(OCC(=O)NC(N)=O)c(F)c1
InChIInChI=1S/C12H16FN3O3/c1-2-15-6-8-3-4-10(9(13)5-8)19-7-11(17)16-12(14)18/h3-5,15H,2,6-7H2,1H3,(H3,14,16,17,18)
InChIKeyYCLKVSIVPAJGBU-UHFFFAOYSA-N
XLogP0.51
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]acetamide
CID 43278167
2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 107687125
2-[2-bromo-4-(propylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 63044671
N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide
CID 43278640
2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide
CID 115259899
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107687356
N-carbamoyl-2-(2-fluoro-4-sulfamoylphenoxy)acetamide
CID 82920985
N-(cyanomethyl)-2-[2-fluoro-4-(propylaminomethyl)phenoxy]acetamide
CID 107687312
N-carbamoyl-2-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]acetamide
CID 107742179
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830
N-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide
CID 28561787
N-[[4-[(3,5-dimethylphenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686901

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide?
The IUPAC name of N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide (CID 107687126) is N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide.
What is the SMILES notation for N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide?
The canonical SMILES for N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide is CCNCc1ccc(OCC(=O)NC(N)=O)c(F)c1.
What is the InChIKey of N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide?
The InChIKey is YCLKVSIVPAJGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-2-15-6-8-3-4-10(9(13)5-8)19-7-11(17)16-12(14)18/h3-5,15H,2,6-7H2,1H3,(H3,14,16,17,18).
What are the key properties of N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide?
N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide has a molecular weight of 269.28 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide is sourced from PubChem (CID 107687126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).