4-amino-2-(3-bromo-4-fluoroanilino)-N-ethylbenzamide

C15H15BrFN3O — CID 104775654

IUPAC4-amino-2-(3-bromo-4-fluoroanilino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)cc1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C15H15BrFN3O/c1-2-19-15(21)11-5-3-9(18)7-14(11)20-10-4-6-13(17)12(16)8-10/h3-8,20H,2,18H2,1H3,(H,19,21)
InChIKeyQEAKRGAFYCGLNK-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.66
Rot. Bonds4

About 4-amino-2-(3-bromo-4-fluoroanilino)-N-ethylbenzamide

4-amino-2-(3-bromo-4-fluoroanilino)-N-ethylbenzamide (PubChem CID 104775654) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 4-amino-2-(3-bromo-4-fluoroanilino)-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-2-(3-bromo-4-fluoroanilino)-N-ethylbenzamide
PubChem CID104775654
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name4-amino-2-(3-bromo-4-fluoroanilino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)cc1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C15H15BrFN3O/c1-2-19-15(21)11-5-3-9(18)7-14(11)20-10-4-6-13(17)12(16)8-10/h3-8,20H,2,18H2,1H3,(H,19,21)
InChIKeyQEAKRGAFYCGLNK-UHFFFAOYSA-N
XLogP3.66
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-ethyl-5-fluorobenzamide
CID 130515983
5-amino-2-(3-bromo-4-fluoroanilino)benzenesulfonamide
CID 104775562
4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide
CID 113409457
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide
CID 104758824
N-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide
CID 104779865
4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166574
4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide
CID 83141974
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide
CID 106308871
4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide
CID 106140637
5-amino-2-(4-chloroanilino)-N-propylbenzamide
CID 100645514

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-bromo-4-fluoroanilino)-N-ethylbenzamide?
The IUPAC name of 4-amino-2-(3-bromo-4-fluoroanilino)-N-ethylbenzamide (CID 104775654) is 4-amino-2-(3-bromo-4-fluoroanilino)-N-ethylbenzamide.
What is the SMILES notation for 4-amino-2-(3-bromo-4-fluoroanilino)-N-ethylbenzamide?
The canonical SMILES for 4-amino-2-(3-bromo-4-fluoroanilino)-N-ethylbenzamide is CCNC(=O)c1ccc(N)cc1Nc1ccc(F)c(Br)c1.
What is the InChIKey of 4-amino-2-(3-bromo-4-fluoroanilino)-N-ethylbenzamide?
The InChIKey is QEAKRGAFYCGLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-2-19-15(21)11-5-3-9(18)7-14(11)20-10-4-6-13(17)12(16)8-10/h3-8,20H,2,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-2-(3-bromo-4-fluoroanilino)-N-ethylbenzamide?
4-amino-2-(3-bromo-4-fluoroanilino)-N-ethylbenzamide has a molecular weight of 352.21 g/mol, XLogP of 3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-bromo-4-fluoroanilino)-N-ethylbenzamide is sourced from PubChem (CID 104775654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).