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

C11H13BrFN3O2 — CID 54902515

IUPAC2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFN3O2/c12-9-2-1-8(13)3-7(9)5-15-11(18)6-16-10(17)4-14/h1-3H,4-6,14H2,(H,15,18)(H,16,17)
InChIKeyLSPZEMDICUIGAR-UHFFFAOYSA-N
MW318.15 g/mol
LogP0.28
Rot. Bonds5

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

2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide (PubChem CID 54902515) has the molecular formula C11H13BrFN3O2 and a molecular weight of 318.15 g/mol. Its IUPAC name is 2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide
PubChem CID54902515
Molecular FormulaC11H13BrFN3O2
Molecular Weight318.15 g/mol
Exact Mass317.02
IUPAC Name2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFN3O2/c12-9-2-1-8(13)3-7(9)5-15-11(18)6-16-10(17)4-14/h1-3H,4-6,14H2,(H,15,18)(H,16,17)
InChIKeyLSPZEMDICUIGAR-UHFFFAOYSA-N
XLogP0.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
N-[(2-bromo-5-fluorophenyl)methyl]butanamide
CID 61062956
2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 82126824
methyl 4-[(2-bromo-5-fluorophenyl)methylamino]-4-oxobutanoate
CID 47312249
2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]acetamide
CID 119297083
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 55900087
3-(2-aminophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]propanamide
CID 107272903
2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 61140407
3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]prop-2-ynamide
CID 131097698
N-[(2-bromo-4-fluorophenyl)methyl]-2-(methylamino)acetamide
CID 119739043
(2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 103929422
N-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide
CID 54902470

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide (CID 54902515) is 2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide is NCC(=O)NCC(=O)NCc1cc(F)ccc1Br.
What is the InChIKey of 2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide?
The InChIKey is LSPZEMDICUIGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN3O2/c12-9-2-1-8(13)3-7(9)5-15-11(18)6-16-10(17)4-14/h1-3H,4-6,14H2,(H,15,18)(H,16,17).
What are the key properties of 2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide?
2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide has a molecular weight of 318.15 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 54902515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).