N-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide

C15H14BrFN2O2 — CID 83231324

IUPACN-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide
SMILESCN(C(=O)COc1ccc(F)c(Br)c1)c1ccc(N)cc1
InChIInChI=1S/C15H14BrFN2O2/c1-19(11-4-2-10(18)3-5-11)15(20)9-21-12-6-7-14(17)13(16)8-12/h2-8H,9,18H2,1H3
InChIKeyNEQLEOQJXSLQCE-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.21
Rot. Bonds4

About N-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide

N-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide (PubChem CID 83231324) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide
PubChem CID83231324
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC NameN-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide
SMILESCN(C(=O)COc1ccc(F)c(Br)c1)c1ccc(N)cc1
InChIInChI=1S/C15H14BrFN2O2/c1-19(11-4-2-10(18)3-5-11)15(20)9-21-12-6-7-14(17)13(16)8-12/h2-8H,9,18H2,1H3
InChIKeyNEQLEOQJXSLQCE-UHFFFAOYSA-N
XLogP3.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)-N-methylacetamide
CID 63880193
N-(4-aminophenyl)-2-(4-bromophenoxy)-N-methylacetamide
CID 43376432
N-(4-aminophenyl)-2-(4-fluorophenoxy)-N-methylacetamide
CID 43376484
N-(4-aminophenyl)-2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 43621859
N-(4-aminophenyl)-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 43376460
N-(4-aminophenyl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 43376419
N-(4-aminophenyl)-2-(5-bromo-2-methylphenoxy)-N-methylacetamide
CID 107283407
2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylacetamide
CID 94626264
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542
3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide
CID 107952297
4-(3-bromo-4-fluorophenoxy)-N,N-dimethylbutanamide
CID 83232033
2-(4-aminophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 61027807

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide (CID 83231324) is N-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide is CN(C(=O)COc1ccc(F)c(Br)c1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide?
The InChIKey is NEQLEOQJXSLQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-19(11-4-2-10(18)3-5-11)15(20)9-21-12-6-7-14(17)13(16)8-12/h2-8H,9,18H2,1H3.
What are the key properties of N-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide?
N-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide has a molecular weight of 353.19 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(3-bromo-4-fluorophenoxy)-N-methylacetamide is sourced from PubChem (CID 83231324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).