(2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone

C16H16BrNO3 — CID 116591872

IUPAC(2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccccc1C(=O)c1ccc(Br)cc1N
InChIInChI=1S/C16H16BrNO3/c1-20-8-9-21-15-5-3-2-4-13(15)16(19)12-7-6-11(17)10-14(12)18/h2-7,10H,8-9,18H2,1H3
InChIKeyMYALKFJYYMEFIL-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.29
Rot. Bonds6

About (2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone

(2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone (PubChem CID 116591872) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is (2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name(2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
PubChem CID116591872
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name(2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccccc1C(=O)c1ccc(Br)cc1N
InChIInChI=1S/C16H16BrNO3/c1-20-8-9-21-15-5-3-2-4-13(15)16(19)12-7-6-11(17)10-14(12)18/h2-7,10H,8-9,18H2,1H3
InChIKeyMYALKFJYYMEFIL-UHFFFAOYSA-N
XLogP3.29
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659443
(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107977350
2-methoxyethyl 2-amino-4-bromobenzoate
CID 61303052
(2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107984617
(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 115799973
(2-amino-4-bromophenyl)-(2,4-dimethoxyphenyl)methanone
CID 116591704
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-4-bromobenzoate
CID 104562931
benzyl 4-bromo-2-(2-methoxyethoxy)benzoate
CID 162393059
[2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate
CID 139968489
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
(2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107502643
(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107101821

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The IUPAC name of (2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone (CID 116591872) is (2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone.
What is the SMILES notation for (2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The canonical SMILES for (2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone is COCCOc1ccccc1C(=O)c1ccc(Br)cc1N.
What is the InChIKey of (2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The InChIKey is MYALKFJYYMEFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-20-8-9-21-15-5-3-2-4-13(15)16(19)12-7-6-11(17)10-14(12)18/h2-7,10H,8-9,18H2,1H3.
What are the key properties of (2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
(2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone has a molecular weight of 350.21 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone is sourced from PubChem (CID 116591872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).