N-[(2-bromo-4-fluorophenyl)methyl]-2-(methylamino)acetamide

C10H12BrFN2O — CID 119739043

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCc1ccc(F)cc1Br
InChIInChI=1S/C10H12BrFN2O/c1-13-6-10(15)14-5-7-2-3-8(12)4-9(7)11/h2-4,13H,5-6H2,1H3,(H,14,15)
InChIKeyFOEBQVRNTBPAKX-UHFFFAOYSA-N
MW275.12 g/mol
LogP1.42
Rot. Bonds4

About N-[(2-bromo-4-fluorophenyl)methyl]-2-(methylamino)acetamide

N-[(2-bromo-4-fluorophenyl)methyl]-2-(methylamino)acetamide (PubChem CID 119739043) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-2-(methylamino)acetamide
PubChem CID119739043
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCc1ccc(F)cc1Br
InChIInChI=1S/C10H12BrFN2O/c1-13-6-10(15)14-5-7-2-3-8(12)4-9(7)11/h2-4,13H,5-6H2,1H3,(H,14,15)
InChIKeyFOEBQVRNTBPAKX-UHFFFAOYSA-N
XLogP1.42
TPSA41.13 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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide
CID 119297944
2-[(2-bromo-4-fluorophenyl)methylamino]-N-tert-butylacetamide
CID 81422388
N-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119753670
N-[(2-bromo-5-fluorophenyl)methyl]butanamide
CID 61062956
2-amino-N-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 54902515
N-[2-[(2-bromo-4-fluorophenyl)methylamino]ethyl]-2-methylpropanamide
CID 103608711
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
2-[(2-bromo-4-fluorophenyl)methylamino]propanamide
CID 43430625
3-[(2-bromo-4-fluorophenyl)methylamino]propanoic acid
CID 43466684
4-[(2-bromo-4-fluorophenyl)methylamino]-N-ethylbenzamide
CID 107095670
1-[(2-bromo-4-fluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea
CID 138022624
methyl 4-[(2-bromo-5-fluorophenyl)methylamino]-4-oxobutanoate
CID 47312249

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-2-(methylamino)acetamide?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-2-(methylamino)acetamide (CID 119739043) is N-[(2-bromo-4-fluorophenyl)methyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-2-(methylamino)acetamide is CNCC(=O)NCc1ccc(F)cc1Br.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-2-(methylamino)acetamide?
The InChIKey is FOEBQVRNTBPAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-13-6-10(15)14-5-7-2-3-8(12)4-9(7)11/h2-4,13H,5-6H2,1H3,(H,14,15).
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-2-(methylamino)acetamide?
N-[(2-bromo-4-fluorophenyl)methyl]-2-(methylamino)acetamide has a molecular weight of 275.12 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]-2-(methylamino)acetamide is sourced from PubChem (CID 119739043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).