(Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide

C17H16BrNO2 — CID 716265

IUPAC(Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)/C(Br)=C/c1ccccc1
InChIInChI=1S/C17H16BrNO2/c1-12-8-9-16(21-2)15(10-12)19-17(20)14(18)11-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,20)/b14-11-
InChIKeyWANLWVQVOOXPKQ-KAMYIIQDSA-N
MW346.22 g/mol
LogP4.38
Rot. Bonds4

About (Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide

(Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide (PubChem CID 716265) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is (Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide
PubChem CID716265
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name(Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)/C(Br)=C/c1ccccc1
InChIInChI=1S/C17H16BrNO2/c1-12-8-9-16(21-2)15(10-12)19-17(20)14(18)11-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,20)/b14-11-
InChIKeyWANLWVQVOOXPKQ-KAMYIIQDSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 731540
2-bromo-N-(2,4-dimethylphenyl)-3-phenylprop-2-enamide
CID 716250
(Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 1191949
(Z)-2-bromo-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 1192033
(Z)-N-(2-methoxy-4-methylphenyl)-2,3-diphenylprop-2-enamide
CID 6140104
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
N-(2,3-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44996651
N'-(2-methoxy-5-methylphenyl)-N-pyridin-2-yloxamide
CID 44999243
N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide
CID 5085648
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
N-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108515633
1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea
CID 4516972

Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide (CID 716265) is (Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide is COc1ccc(C)cc1NC(=O)/C(Br)=C/c1ccccc1.
What is the InChIKey of (Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide?
The InChIKey is WANLWVQVOOXPKQ-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-12-8-9-16(21-2)15(10-12)19-17(20)14(18)11-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,20)/b14-11-.
What are the key properties of (Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide?
(Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-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)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 716265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).