(Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methylphenyl)prop-2-enamide

C17H16BrNO2 — CID 56968641

IUPAC(Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methylphenyl)prop-2-enamide
SMILESCO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H16BrNO2/c1-12-3-9-15(10-4-12)19-17(20)16(21-2)11-13-5-7-14(18)8-6-13/h3-11H,1-2H3,(H,19,20)/b16-11-
InChIKeyVLIWEURUFFPTKT-WJDWOHSUSA-N
MW346.22 g/mol
LogP4.38
Rot. Bonds4

About (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methylphenyl)prop-2-enamide

(Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methylphenyl)prop-2-enamide (PubChem CID 56968641) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methylphenyl)prop-2-enamide
PubChem CID56968641
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name(Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methylphenyl)prop-2-enamide
SMILESCO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H16BrNO2/c1-12-3-9-15(10-4-12)19-17(20)16(21-2)11-13-5-7-14(18)8-6-13/h3-11H,1-2H3,(H,19,20)/b16-11-
InChIKeyVLIWEURUFFPTKT-WJDWOHSUSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-N-(2-Bromo-4-methylphenyl)-3-phenylprop-2-enamide
CID 774831
[2-(2-bromoanilino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2397354
[2-oxo-2-(4-propan-2-ylanilino)ethyl] (E)-3-(3-bromophenyl)prop-2-enoate
CID 2429281
2-Bromo-N-[4-[(1E,4E)-5-(4-bromophenyl)-3-oxo-1,4-pentadien-1-yl]phenyl]-2-propenamide
CID 46887688
(Z)-2-methoxy-3-phenyl-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 56968196
(Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 56968406
(Z)-N-(4-fluorophenyl)-2-methoxy-3-phenylprop-2-enamide
CID 56971500
5-Bromo-3-methoxy-1,2-dihydroquinolin-2-one
CID 90135547
(2E)-3-(4-bromophenyl)-N-phenylprop-2-enamide
CID 6271440
trans-4-Acetamido-4'-bromostilbene
CID 6440077
(Z)-N-(4-bromophenyl)-2-methoxy-3-phenylprop-2-enamide
CID 56968194
(Z)-2-methoxy-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 56968195

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methylphenyl)prop-2-enamide (CID 56968641) is (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methylphenyl)prop-2-enamide is CO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methylphenyl)prop-2-enamide?
The InChIKey is VLIWEURUFFPTKT-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-12-3-9-15(10-4-12)19-17(20)16(21-2)11-13-5-7-14(18)8-6-13/h3-11H,1-2H3,(H,19,20)/b16-11-.
What are the key properties of (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methylphenyl)prop-2-enamide?
(Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methylphenyl)prop-2-enamide has a molecular weight of 346.22 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 56968641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).