2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide

C14H20FN3O2 — CID 26302621

IUPAC2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H20FN3O2/c1-10(2)18(8-13(16)19)9-14(20)17-7-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyDNDNMFDBWFOYPV-UHFFFAOYSA-N
MW281.33 g/mol
LogP0.64
Rot. Bonds7

About 2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide

2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide (PubChem CID 26302621) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
PubChem CID26302621
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H20FN3O2/c1-10(2)18(8-13(16)19)9-14(20)17-7-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyDNDNMFDBWFOYPV-UHFFFAOYSA-N
XLogP0.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide
CID 68558290
N-[(4-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464785
(2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride
CID 119266584
N'-[(4-fluorophenyl)methyl]-2,2-dimethylbutanediamide
CID 21268066
2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
CID 112769362
2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 119291044
N-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
CID 112798459
N-[(4-chlorophenyl)methyl]-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692542
2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pentanamide;hydrochloride
CID 119266596
2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27083840
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28561266
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852513

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide (CID 26302621) is 2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide?
The InChIKey is DNDNMFDBWFOYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-10(2)18(8-13(16)19)9-14(20)17-7-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H2,16,19)(H,17,20).
What are the key properties of 2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide?
2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide has a molecular weight of 281.33 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 26302621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).