(4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone

C12H10BrNO3 — CID 104785062

IUPAC(4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone
SMILESCOc1cc(C(=O)c2ccc(Br)o2)ccc1N
InChIInChI=1S/C12H10BrNO3/c1-16-10-6-7(2-3-8(10)14)12(15)9-4-5-11(13)17-9/h2-6H,14H2,1H3
InChIKeyZLNJNHISSFIPFV-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.86
Rot. Bonds3

About (4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone

(4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone (PubChem CID 104785062) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is (4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone
PubChem CID104785062
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Name(4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone
SMILESCOc1cc(C(=O)c2ccc(Br)o2)ccc1N
InChIInChI=1S/C12H10BrNO3/c1-16-10-6-7(2-3-8(10)14)12(15)9-4-5-11(13)17-9/h2-6H,14H2,1H3
InChIKeyZLNJNHISSFIPFV-UHFFFAOYSA-N
XLogP2.86
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3-methoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 104785039
(5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82095027
(5-bromofuran-2-yl)-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone
CID 104657187
1-(5-bromofuran-2-yl)-4-(3,4-dimethoxyphenyl)butane-1,4-dione
CID 159254537
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone
CID 103394164
5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide
CID 2355027
methyl 4-amino-3-methoxybenzoate
CID 602411
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
(3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683749
(5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 81283012
(5-bromofuran-2-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 63020563
(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 115792767

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone?
The IUPAC name of (4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone (CID 104785062) is (4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone.
What is the SMILES notation for (4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone?
The canonical SMILES for (4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone is COc1cc(C(=O)c2ccc(Br)o2)ccc1N.
What is the InChIKey of (4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone?
The InChIKey is ZLNJNHISSFIPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c1-16-10-6-7(2-3-8(10)14)12(15)9-4-5-11(13)17-9/h2-6H,14H2,1H3.
What are the key properties of (4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone?
(4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone has a molecular weight of 296.12 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone is sourced from PubChem (CID 104785062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).