3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide

C15H15BrN2O2 — CID 107813044

IUPAC3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
SMILESNc1cc(C(=O)NC2CCCc3occc32)ccc1Br
InChIInChI=1S/C15H15BrN2O2/c16-11-5-4-9(8-12(11)17)15(19)18-13-2-1-3-14-10(13)6-7-20-14/h4-8,13H,1-3,17H2,(H,18,19)
InChIKeyZEVOHPFYCDXMBR-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.43
Rot. Bonds2

About 3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide

3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide (PubChem CID 107813044) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
PubChem CID107813044
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
SMILESNc1cc(C(=O)NC2CCCc3occc32)ccc1Br
InChIInChI=1S/C15H15BrN2O2/c16-11-5-4-9(8-12(11)17)15(19)18-13-2-1-3-14-10(13)6-7-20-14/h4-8,13H,1-3,17H2,(H,18,19)
InChIKeyZEVOHPFYCDXMBR-UHFFFAOYSA-N
XLogP3.43
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.43
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

N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 86923838
3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62841982
3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 86923832
5-bromo-N-[4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 112841023
4-chloro-3-nitro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 3491144
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3H-benzimidazole-5-carboxamide
CID 60735715
5-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734129
2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-thiazole-4-carboxamide
CID 55116351
4-amino-2-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 107207796
1-ethyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzotriazole-5-carboxamide
CID 78849399
4-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 86923847
5-chloro-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 60734211

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide (CID 107813044) is 3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide is Nc1cc(C(=O)NC2CCCc3occc32)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The InChIKey is ZEVOHPFYCDXMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-11-5-4-9(8-12(11)17)15(19)18-13-2-1-3-14-10(13)6-7-20-14/h4-8,13H,1-3,17H2,(H,18,19).
What are the key properties of 3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide has a molecular weight of 335.20 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide is sourced from PubChem (CID 107813044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).