2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide

C13H16BrFN2O2 — CID 61488078

IUPAC2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1c(N)cc(F)cc1Br)C1CC1
InChIInChI=1S/C13H16BrFN2O2/c1-2-17(9-3-4-9)12(18)7-19-13-10(14)5-8(15)6-11(13)16/h5-6,9H,2-4,7,16H2,1H3
InChIKeyBRSJWINVONFQSF-UHFFFAOYSA-N
MW331.19 g/mol
LogP2.56
Rot. Bonds5

About 2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide

2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide (PubChem CID 61488078) has the molecular formula C13H16BrFN2O2 and a molecular weight of 331.19 g/mol. Its IUPAC name is 2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide
PubChem CID61488078
Molecular FormulaC13H16BrFN2O2
Molecular Weight331.19 g/mol
Exact Mass330.04
IUPAC Name2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1c(N)cc(F)cc1Br)C1CC1
InChIInChI=1S/C13H16BrFN2O2/c1-2-17(9-3-4-9)12(18)7-19-13-10(14)5-8(15)6-11(13)16/h5-6,9H,2-4,7,16H2,1H3
InChIKeyBRSJWINVONFQSF-UHFFFAOYSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-6-bromo-4-chlorophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 61488077
2-(2-amino-6-bromo-4-fluorophenoxy)-N,N-diethylacetamide
CID 43379393
2-(2-amino-4,6-dimethylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 62057785
2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 65431648
2-(5-bromo-2,3-difluorophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 107098987
N-cyclopropyl-N-ethyl-2-(3-fluorophenoxy)acetamide
CID 60729344
2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957324
2-(2-amino-4-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957478
N-cyclopropyl-N-ethyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 61488385
2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide
CID 61488153
N-cyclopropyl-N-ethyl-2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78932476
3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 62626452

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide (CID 61488078) is 2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)COc1c(N)cc(F)cc1Br)C1CC1.
What is the InChIKey of 2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide?
The InChIKey is BRSJWINVONFQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O2/c1-2-17(9-3-4-9)12(18)7-19-13-10(14)5-8(15)6-11(13)16/h5-6,9H,2-4,7,16H2,1H3.
What are the key properties of 2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide?
2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide has a molecular weight of 331.19 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 61488078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).