2-acetamido-N-[2-[(3-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide

C13H15BrFN3O3 — CID 51124080

IUPAC2-acetamido-N-[2-[(3-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)NCc1cc(F)cc(Br)c1
InChIInChI=1S/C13H15BrFN3O3/c1-8(19)16-6-12(20)18-7-13(21)17-5-9-2-10(14)4-11(15)3-9/h2-4H,5-7H2,1H3,(H,16,19)(H,17,21)(H,18,20)
InChIKeyZAUMTIBYKUGVHK-UHFFFAOYSA-N
MW360.18 g/mol
LogP0.46
Rot. Bonds6

About 2-acetamido-N-[2-[(3-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide

2-acetamido-N-[2-[(3-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide (PubChem CID 51124080) has the molecular formula C13H15BrFN3O3 and a molecular weight of 360.18 g/mol. Its IUPAC name is 2-acetamido-N-[2-[(3-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[2-[(3-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide
PubChem CID51124080
Molecular FormulaC13H15BrFN3O3
Molecular Weight360.18 g/mol
Exact Mass359.03
IUPAC Name2-acetamido-N-[2-[(3-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)NCc1cc(F)cc(Br)c1
InChIInChI=1S/C13H15BrFN3O3/c1-8(19)16-6-12(20)18-7-13(21)17-5-9-2-10(14)4-11(15)3-9/h2-4H,5-7H2,1H3,(H,16,19)(H,17,21)(H,18,20)
InChIKeyZAUMTIBYKUGVHK-UHFFFAOYSA-N
XLogP0.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(3-bromo-5-fluorophenyl)methyl]propanamide;hydrochloride
CID 119300582
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
N-[(3-bromo-5-fluorophenyl)methyl]-2-methylprop-2-en-1-amine
CID 114616722
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 60559844
2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 46222705
2-[(3-bromo-5-fluorophenyl)methylcarbamoylamino]-2-methylbutanoic acid
CID 79710519
2-[3-(acetamidomethyl)-5-bromophenoxy]acetic acid
CID 167734862
N-[(3-bromo-5-fluorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 55978468
N-[[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103728195
1-(3-bromo-5-fluorophenyl)-3-methylbut-3-en-2-one
CID 103446397
2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-[(3-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-acetamido-N-[2-[(3-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide (CID 51124080) is 2-acetamido-N-[2-[(3-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[2-[(3-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-acetamido-N-[2-[(3-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide is CC(=O)NCC(=O)NCC(=O)NCc1cc(F)cc(Br)c1.
What is the InChIKey of 2-acetamido-N-[2-[(3-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide?
The InChIKey is ZAUMTIBYKUGVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3O3/c1-8(19)16-6-12(20)18-7-13(21)17-5-9-2-10(14)4-11(15)3-9/h2-4H,5-7H2,1H3,(H,16,19)(H,17,21)(H,18,20).
What are the key properties of 2-acetamido-N-[2-[(3-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide?
2-acetamido-N-[2-[(3-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide has a molecular weight of 360.18 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-[(3-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 51124080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).