2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide

C11H14BrFN2O — CID 43398957

IUPAC2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1ccc(F)c(Br)c1
InChIInChI=1S/C11H14BrFN2O/c1-2-15-11(16)7-14-6-8-3-4-10(13)9(12)5-8/h3-5,14H,2,6-7H2,1H3,(H,15,16)
InChIKeyUKMNFNYATYGOKS-UHFFFAOYSA-N
MW289.15 g/mol
LogP1.81
Rot. Bonds5

About 2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide

2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide (PubChem CID 43398957) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is 2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide
PubChem CID43398957
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1ccc(F)c(Br)c1
InChIInChI=1S/C11H14BrFN2O/c1-2-15-11(16)7-14-6-8-3-4-10(13)9(12)5-8/h3-5,14H,2,6-7H2,1H3,(H,15,16)
InChIKeyUKMNFNYATYGOKS-UHFFFAOYSA-N
XLogP1.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]propanamide
CID 91448069
2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide
CID 43221669
N'-[(3-bromo-4-fluorophenyl)methyl]-N-ethylethane-1,2-diamine
CID 107951053
tert-butyl 2-[(3-bromo-4-fluorophenyl)methylamino]acetate
CID 78994243
3-[(4-bromo-3-fluorophenyl)methylamino]-N-ethylpropanamide
CID 113409631
2-(3-bromo-4-fluorophenyl)-N-[2-(ethylamino)ethyl]acetamide
CID 119507812
2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide
CID 60657940
N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide
CID 115632183
2-[(3-bromo-4-fluorophenyl)methylamino]ethylurea
CID 83111406
(3-bromo-4-fluorophenyl)methylurea
CID 131036089
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499
N-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide
CID 86993800

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide (CID 43398957) is 2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide is CCNC(=O)CNCc1ccc(F)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide?
The InChIKey is UKMNFNYATYGOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-2-15-11(16)7-14-6-8-3-4-10(13)9(12)5-8/h3-5,14H,2,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide?
2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide has a molecular weight of 289.15 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide is sourced from PubChem (CID 43398957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).