(2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone

C15H9BrClNO2 — CID 114736998

IUPAC(2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone
SMILESNc1cc(Br)ccc1C(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H9BrClNO2/c16-9-1-3-11(12(18)7-9)15(19)14-6-8-5-10(17)2-4-13(8)20-14/h1-7H,18H2
InChIKeyYBINKUPEDZRFRY-UHFFFAOYSA-N
MW350.60 g/mol
LogP4.66
Rot. Bonds2

About (2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone

(2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone (PubChem CID 114736998) has the molecular formula C15H9BrClNO2 and a molecular weight of 350.60 g/mol. Its IUPAC name is (2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone
PubChem CID114736998
Molecular FormulaC15H9BrClNO2
Molecular Weight350.60 g/mol
Exact Mass348.95
IUPAC Name(2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone
SMILESNc1cc(Br)ccc1C(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H9BrClNO2/c16-9-1-3-11(12(18)7-9)15(19)14-6-8-5-10(17)2-4-13(8)20-14/h1-7H,18H2
InChIKeyYBINKUPEDZRFRY-UHFFFAOYSA-N
XLogP4.66
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114885265
(2-bromo-5-methylphenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808561
(5-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
CID 114726089
(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
CID 15918246
(2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107944793
(2-amino-4-bromophenyl)-(3-chlorophenyl)methanone
CID 116591876
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
(5-chloro-1-benzofuran-2-yl)-(4-chloro-3-fluorophenyl)methanone
CID 107996739
(5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 25481768
N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide
CID 9159182
(5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone
CID 29076016
(5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 114737396

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone?
The IUPAC name of (2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone (CID 114736998) is (2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone is Nc1cc(Br)ccc1C(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of (2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone?
The InChIKey is YBINKUPEDZRFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNO2/c16-9-1-3-11(12(18)7-9)15(19)14-6-8-5-10(17)2-4-13(8)20-14/h1-7H,18H2.
What are the key properties of (2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone?
(2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone has a molecular weight of 350.60 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114736998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).