3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide

C15H14BrFN2O2 — CID 82990981

IUPAC3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Oc2cc(F)ccc2Br)c(N)c1
InChIInChI=1S/C15H14BrFN2O2/c1-2-19-15(20)9-3-6-13(12(18)7-9)21-14-8-10(17)4-5-11(14)16/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyDQSGMCQGLZCMNK-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.71
Rot. Bonds4

About 3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide

3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide (PubChem CID 82990981) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide
PubChem CID82990981
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Oc2cc(F)ccc2Br)c(N)c1
InChIInChI=1S/C15H14BrFN2O2/c1-2-19-15(20)9-3-6-13(12(18)7-9)21-14-8-10(17)4-5-11(14)16/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyDQSGMCQGLZCMNK-UHFFFAOYSA-N
XLogP3.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.71
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

3-amino-N-ethyl-4-(4-fluoro-2-methylphenoxy)benzamide
CID 82990983
3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide
CID 82990957
4-amino-3-(2-bromo-5-fluoroanilino)-N-ethylbenzamide
CID 107634456
3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide
CID 82990978
3-amino-4-[(2-bromophenyl)methoxy]-N-ethylbenzamide
CID 82990987
4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide
CID 107655446
4-amino-3-(2,3-difluorophenoxy)-N-ethylbenzamide
CID 63358780
methyl 3-amino-4-(2,5-difluorophenoxy)benzoate
CID 63269620
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide
CID 82993340
3-amino-4-(2,5-difluorophenoxy)-N,N-dimethylbenzamide
CID 82992739
3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide
CID 116800376

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide?
The IUPAC name of 3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide (CID 82990981) is 3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide is CCNC(=O)c1ccc(Oc2cc(F)ccc2Br)c(N)c1.
What is the InChIKey of 3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide?
The InChIKey is DQSGMCQGLZCMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-2-19-15(20)9-3-6-13(12(18)7-9)21-14-8-10(17)4-5-11(14)16/h3-8H,2,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide?
3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide has a molecular weight of 353.19 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide is sourced from PubChem (CID 82990981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).