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

C17H16BrNO3 — CID 56968849

IUPAC(Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide
SMILESCO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C17H16BrNO3/c1-21-15-9-7-14(8-10-15)19-17(20)16(22-2)11-12-3-5-13(18)6-4-12/h3-11H,1-2H3,(H,19,20)/b16-11-
InChIKeyYVKBNHZKXBXDSC-WJDWOHSUSA-N
MW362.22 g/mol
LogP4.08
Rot. Bonds5

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

(Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide (PubChem CID 56968849) has the molecular formula C17H16BrNO3 and a molecular weight of 362.22 g/mol. Its IUPAC name is (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide
PubChem CID56968849
Molecular FormulaC17H16BrNO3
Molecular Weight362.22 g/mol
Exact Mass361.03
IUPAC Name(Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide
SMILESCO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C17H16BrNO3/c1-21-15-9-7-14(8-10-15)19-17(20)16(22-2)11-12-3-5-13(18)6-4-12/h3-11H,1-2H3,(H,19,20)/b16-11-
InChIKeyYVKBNHZKXBXDSC-WJDWOHSUSA-N
XLogP4.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide
CID 56968407
(Z)-3-(4-bromophenyl)-N-(4-fluorophenyl)-2-methoxyprop-2-enamide
CID 56968638
(Z)-2-methoxy-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 56968197
N-[1-(4-bromophenyl)-3-(4-fluoroanilino)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 5078924
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
2-methoxy-3-(4-methoxyphenyl)prop-2-enamide
CID 165349278
(Z)-3-(4-bromoanilino)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 108828353
(E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide
CID 6112838
2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 94832076
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide
CID 108502691
(Z)-1-(4-bromophenyl)-3-(4-methoxyanilino)but-2-en-1-one
CID 5408042

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide (CID 56968849) is (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide is CO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is YVKBNHZKXBXDSC-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H16BrNO3/c1-21-15-9-7-14(8-10-15)19-17(20)16(22-2)11-12-3-5-13(18)6-4-12/h3-11H,1-2H3,(H,19,20)/b16-11-.
What are the key properties of (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide?
(Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 362.22 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 56968849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).