2-[(2-bromo-4-fluorophenyl)methylamino]propanamide

C10H12BrFN2O — CID 43430625

IUPAC2-[(2-bromo-4-fluorophenyl)methylamino]propanamide
SMILESCC(NCc1ccc(F)cc1Br)C(N)=O
InChIInChI=1S/C10H12BrFN2O/c1-6(10(13)15)14-5-7-2-3-8(12)4-9(7)11/h2-4,6,14H,5H2,1H3,(H2,13,15)
InChIKeyWOFOWSGLUKBVEJ-UHFFFAOYSA-N
MW275.12 g/mol
LogP1.55
Rot. Bonds4

About 2-[(2-bromo-4-fluorophenyl)methylamino]propanamide

2-[(2-bromo-4-fluorophenyl)methylamino]propanamide (PubChem CID 43430625) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methylamino]propanamide.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methylamino]propanamide
PubChem CID43430625
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name2-[(2-bromo-4-fluorophenyl)methylamino]propanamide
SMILESCC(NCc1ccc(F)cc1Br)C(N)=O
InChIInChI=1S/C10H12BrFN2O/c1-6(10(13)15)14-5-7-2-3-8(12)4-9(7)11/h2-4,6,14H,5H2,1H3,(H2,13,15)
InChIKeyWOFOWSGLUKBVEJ-UHFFFAOYSA-N
XLogP1.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-4-chlorophenyl)methylamino]propanamide
CID 81495277
methyl 2-[(2-bromo-4-fluorophenyl)methylamino]-3-methylpentanoate
CID 104578657
2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide
CID 119297944
3-[(2-bromo-4-fluorophenyl)methylamino]butan-1-ol
CID 81421994
(2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide
CID 103992341
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348351
N-[2-[(2-bromo-4-fluorophenyl)methylamino]ethyl]-2-methylpropanamide
CID 103608711
N-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide
CID 55037642
4-[(2-bromo-4-fluorophenyl)methylamino]benzamide
CID 28576301
2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide
CID 112673885
2-[(4-bromo-3-methylphenyl)methylamino]propanamide
CID 66474598
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380511

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methylamino]propanamide?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methylamino]propanamide (CID 43430625) is 2-[(2-bromo-4-fluorophenyl)methylamino]propanamide.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methylamino]propanamide?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methylamino]propanamide is CC(NCc1ccc(F)cc1Br)C(N)=O.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methylamino]propanamide?
The InChIKey is WOFOWSGLUKBVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-6(10(13)15)14-5-7-2-3-8(12)4-9(7)11/h2-4,6,14H,5H2,1H3,(H2,13,15).
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methylamino]propanamide?
2-[(2-bromo-4-fluorophenyl)methylamino]propanamide has a molecular weight of 275.12 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methylamino]propanamide is sourced from PubChem (CID 43430625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).