3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide

C15H14BrFN2O2 — CID 61090839

IUPAC3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1N
InChIInChI=1S/C15H14BrFN2O2/c1-2-21-14-6-3-9(7-12(14)18)15(20)19-13-5-4-10(16)8-11(13)17/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyLXYMNBMLTSBCAM-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.82
Rot. Bonds4

About 3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide

3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide (PubChem CID 61090839) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide
PubChem CID61090839
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1N
InChIInChI=1S/C15H14BrFN2O2/c1-2-21-14-6-3-9(7-12(14)18)15(20)19-13-5-4-10(16)8-11(13)17/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyLXYMNBMLTSBCAM-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
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-(4-bromo-2-methylphenyl)-4-ethoxybenzamide
CID 61091755
3-amino-N-(2,5-dibromophenyl)-4-ethoxybenzamide
CID 61466319
3-bromo-N-(4-bromo-2-fluorophenyl)-5-ethoxy-4-methoxybenzamide
CID 26363010
3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide
CID 61090837
N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide
CID 29008332
2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 62151121
3-amino-N-[(4-bromophenyl)methyl]-4-ethoxybenzamide
CID 61090989
3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 61102222
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 42971508
3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide
CID 61093521
4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide
CID 62680442
ethyl 3-amino-4-(4-bromo-2-fluoroanilino)benzoate
CID 61305981

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide?
The IUPAC name of 3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide (CID 61090839) is 3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1N.
What is the InChIKey of 3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide?
The InChIKey is LXYMNBMLTSBCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-2-21-14-6-3-9(7-12(14)18)15(20)19-13-5-4-10(16)8-11(13)17/h3-8H,2,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide?
3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide has a molecular weight of 353.19 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide is sourced from PubChem (CID 61090839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).