(E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enamide

C16H14BrNO2 — CID 91684572

IUPAC(E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H14BrNO2/c17-14-3-1-2-13(10-14)11-20-15-7-4-12(5-8-15)6-9-16(18)19/h1-10H,11H2,(H2,18,19)/b9-6+
InChIKeyCBGIUBQNDSARMT-RMKNXTFCSA-N
MW332.20 g/mol
LogP3.53
Rot. Bonds5

About (E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enamide

(E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enamide (PubChem CID 91684572) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is (E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enamide
PubChem CID91684572
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name(E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H14BrNO2/c17-14-3-1-2-13(10-14)11-20-15-7-4-12(5-8-15)6-9-16(18)19/h1-10H,11H2,(H2,18,19)/b9-6+
InChIKeyCBGIUBQNDSARMT-RMKNXTFCSA-N
XLogP3.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-(Benzyloxy)phenyl)-2-cyanoacrylamide
CID 718070
4-[(3-Bromobenzyl)oxy]benzamide
CID 26051380
(E)-3-(4-(benzyloxy)phenyl)-N-hydroxyacrylamide (4a)
CID 44507934
(Z)-5-(3-Bromo-4-(2-cyclohexylethoxy)benzylidene)thiazolidine-2,4-dione
CID 46836537
(5Z)-5-[[3-bromo-4-(2-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118729656
(E)-N-hydroxy-3-[4-(2-phenylethoxy)phenyl]prop-2-enamide
CID 155560436
2-[4-[(4-Bromophenyl)methoxy]phenyl]acetamide
CID 44371589
5-(2-(Benzyloxy)-5-bromobenzylidene)thiazolidine-2,4-dione
CID 16634009
(5Z)-5-[[3-bromo-4-(3-phenylpropoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118729657
(5Z)-5-{3-bromo-4-[(4-fluorobenzyl)oxy]benzylidene}-1,3-thiazolidine-2,4-dione
CID 1363496
Cinnamohydroxamic acid, 3-bromo-4-butoxy-
CID 6433886
5-(3-Bromo-4-(4-fluorobenzyloxy)benzylidene)thiazolidine-2,4-dione
CID 1363495

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enamide (CID 91684572) is (E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enamide is NC(=O)/C=C/c1ccc(OCc2cccc(Br)c2)cc1.
What is the InChIKey of (E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enamide?
The InChIKey is CBGIUBQNDSARMT-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H14BrNO2/c17-14-3-1-2-13(10-14)11-20-15-7-4-12(5-8-15)6-9-16(18)19/h1-10H,11H2,(H2,18,19)/b9-6+.
What are the key properties of (E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enamide?
(E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enamide has a molecular weight of 332.20 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(3-bromophenyl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 91684572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).