2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide

C14H20FN3O2 — CID 56815151

IUPAC2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)CN(C)CC(N)=O
InChIInChI=1S/C14H20FN3O2/c1-10(11-4-6-12(15)7-5-11)18(3)14(20)9-17(2)8-13(16)19/h4-7,10H,8-9H2,1-3H3,(H2,16,19)
InChIKeyNFQHAKWDAYHJDC-UHFFFAOYSA-N
MW281.33 g/mol
LogP0.76
Rot. Bonds6

About 2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide

2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 56815151) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide
PubChem CID56815151
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)CN(C)CC(N)=O
InChIInChI=1S/C14H20FN3O2/c1-10(11-4-6-12(15)7-5-11)18(3)14(20)9-17(2)8-13(16)19/h4-7,10H,8-9H2,1-3H3,(H2,16,19)
InChIKeyNFQHAKWDAYHJDC-UHFFFAOYSA-N
XLogP0.76
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 86913404
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 111858821
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348198
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 134041772
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 111334205
6-[1-(4-fluorophenyl)ethyl-methylamino]-6-oxohexanoic acid
CID 60952600
2-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 113219837
2-(1-aminocyclobutyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 79854166
(2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119275395
2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 124671108
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 112722717
3-(2-aminophenyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 120608425

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of 2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide (CID 56815151) is 2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for 2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for 2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide is CC(c1ccc(F)cc1)N(C)C(=O)CN(C)CC(N)=O.
What is the InChIKey of 2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is NFQHAKWDAYHJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-10(11-4-6-12(15)7-5-11)18(3)14(20)9-17(2)8-13(16)19/h4-7,10H,8-9H2,1-3H3,(H2,16,19).
What are the key properties of 2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide?
2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 281.33 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 56815151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).