N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide

C15H13BrN2O2 — CID 79767886

IUPACN-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESNc1cc(NC(=O)C2COc3ccccc32)ccc1Br
InChIInChI=1S/C15H13BrN2O2/c16-12-6-5-9(7-13(12)17)18-15(19)11-8-20-14-4-2-1-3-10(11)14/h1-7,11H,8,17H2,(H,18,19)
InChIKeyYUUJYMFWRPGZQO-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.15
Rot. Bonds2

About N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide

N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 79767886) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID79767886
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC NameN-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESNc1cc(NC(=O)C2COc3ccccc32)ccc1Br
InChIInChI=1S/C15H13BrN2O2/c16-12-6-5-9(7-13(12)17)18-15(19)11-8-20-14-4-2-1-3-10(11)14/h1-7,11H,8,17H2,(H,18,19)
InChIKeyYUUJYMFWRPGZQO-UHFFFAOYSA-N
XLogP3.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.15
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-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79754301
N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 113262838
N-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 104757107
N-(3-amino-5-fluorophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 107334144
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
N-(3-amino-4-bromophenyl)cyclohexanecarboxamide
CID 79767895
N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2957823
1-[[(3S)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124636976
N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 154872380
N-[3-(aminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710267
N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057628
N-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057632

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide (CID 79767886) is N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide is Nc1cc(NC(=O)C2COc3ccccc32)ccc1Br.
What is the InChIKey of N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is YUUJYMFWRPGZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-12-6-5-9(7-13(12)17)18-15(19)11-8-20-14-4-2-1-3-10(11)14/h1-7,11H,8,17H2,(H,18,19).
What are the key properties of N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 333.19 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 79767886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).