2-(4-amino-2,5-difluorophenoxy)-N-(3-bromophenyl)acetamide

C14H11BrF2N2O2 — CID 63598293

IUPAC2-(4-amino-2,5-difluorophenoxy)-N-(3-bromophenyl)acetamide
SMILESNc1cc(F)c(OCC(=O)Nc2cccc(Br)c2)cc1F
InChIInChI=1S/C14H11BrF2N2O2/c15-8-2-1-3-9(4-8)19-14(20)7-21-13-6-10(16)12(18)5-11(13)17/h1-6H,7,18H2,(H,19,20)
InChIKeyAQORGUBKWWAATR-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.33
Rot. Bonds4

About 2-(4-amino-2,5-difluorophenoxy)-N-(3-bromophenyl)acetamide

2-(4-amino-2,5-difluorophenoxy)-N-(3-bromophenyl)acetamide (PubChem CID 63598293) has the molecular formula C14H11BrF2N2O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is 2-(4-amino-2,5-difluorophenoxy)-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2,5-difluorophenoxy)-N-(3-bromophenyl)acetamide
PubChem CID63598293
Molecular FormulaC14H11BrF2N2O2
Molecular Weight357.15 g/mol
Exact Mass356.00
IUPAC Name2-(4-amino-2,5-difluorophenoxy)-N-(3-bromophenyl)acetamide
SMILESNc1cc(F)c(OCC(=O)Nc2cccc(Br)c2)cc1F
InChIInChI=1S/C14H11BrF2N2O2/c15-8-2-1-3-9(4-8)19-14(20)7-21-13-6-10(16)12(18)5-11(13)17/h1-6H,7,18H2,(H,19,20)
InChIKeyAQORGUBKWWAATR-UHFFFAOYSA-N
XLogP3.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-fluoro-5-methylphenoxy)-N-phenylacetamide
CID 114415725
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
2-(4-amino-2,5-difluorophenoxy)-N-(2-chlorophenyl)acetamide
CID 63598292
2-(4-amino-2,5-difluorophenoxy)-N-(2-methylphenyl)acetamide
CID 63598465
2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7500246
3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32626849
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
N-(3-bromophenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 17252160
2-(2-amino-4-bromo-5-fluorophenoxy)-N-(4-bromophenyl)acetamide
CID 103482897
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
2-[2-(aminomethyl)-3-chlorophenoxy]-N-(3-bromophenyl)acetamide
CID 114318480
[2-(3-bromoanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991384

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,5-difluorophenoxy)-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-(4-amino-2,5-difluorophenoxy)-N-(3-bromophenyl)acetamide (CID 63598293) is 2-(4-amino-2,5-difluorophenoxy)-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-2,5-difluorophenoxy)-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-(4-amino-2,5-difluorophenoxy)-N-(3-bromophenyl)acetamide is Nc1cc(F)c(OCC(=O)Nc2cccc(Br)c2)cc1F.
What is the InChIKey of 2-(4-amino-2,5-difluorophenoxy)-N-(3-bromophenyl)acetamide?
The InChIKey is AQORGUBKWWAATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2/c15-8-2-1-3-9(4-8)19-14(20)7-21-13-6-10(16)12(18)5-11(13)17/h1-6H,7,18H2,(H,19,20).
What are the key properties of 2-(4-amino-2,5-difluorophenoxy)-N-(3-bromophenyl)acetamide?
2-(4-amino-2,5-difluorophenoxy)-N-(3-bromophenyl)acetamide has a molecular weight of 357.15 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,5-difluorophenoxy)-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 63598293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).