(E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide

C9H7Br2NO2 — CID 131238888

IUPAC(E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H7Br2NO2/c10-6-3-5(1-2-8(12)13)9(14)7(11)4-6/h1-4,14H,(H2,12,13)/b2-1+
InChIKeyFZBYPAJXNZYEGC-OWOJBTEDSA-N
MW320.97 g/mol
LogP2.42
Rot. Bonds2

About (E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide

(E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide (PubChem CID 131238888) has the molecular formula C9H7Br2NO2 and a molecular weight of 320.97 g/mol. Its IUPAC name is (E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide
PubChem CID131238888
Molecular FormulaC9H7Br2NO2
Molecular Weight320.97 g/mol
Exact Mass318.88
IUPAC Name(E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C9H7Br2NO2/c10-6-3-5(1-2-8(12)13)9(14)7(11)4-6/h1-4,14H,(H2,12,13)/b2-1+
InChIKeyFZBYPAJXNZYEGC-OWOJBTEDSA-N
XLogP2.42
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.97
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide
CID 131233134
(E)-3-(3,4,5-tribromo-2-hydroxyphenyl)prop-2-enamide
CID 131551507
2-(3-aminoprop-1-enyl)-4,6-dibromophenol
CID 169464646
(E)-3-(2-amino-5-bromophenyl)prop-2-enamide
CID 129410638
3-(3,5-dibromophenyl)prop-2-enamide
CID 169482889
2,4-dibromo-6-(3-bromoprop-1-enyl)phenol
CID 169476608
2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol
CID 169454368
(Z)-3-(3-chloro-2-hydroxy-5-methylphenyl)prop-2-enamide
CID 131497818
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 169482902
2,4-dibromo-6-[2-[(1R,2R)-2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol
CID 59075126
3-[4-bromo-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482776

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide (CID 131238888) is (E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide is NC(=O)/C=C/c1cc(Br)cc(Br)c1O.
What is the InChIKey of (E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide?
The InChIKey is FZBYPAJXNZYEGC-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H7Br2NO2/c10-6-3-5(1-2-8(12)13)9(14)7(11)4-6/h1-4,14H,(H2,12,13)/b2-1+.
What are the key properties of (E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide?
(E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide has a molecular weight of 320.97 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 131238888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).