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

C19H20BrNO2 — CID 56968642

IUPAC(Z)-3-(4-bromophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H20BrNO2/c1-13(2)15-6-10-17(11-7-15)21-19(22)18(23-3)12-14-4-8-16(20)9-5-14/h4-13H,1-3H3,(H,21,22)/b18-12-
InChIKeyNXXDNZRITZDJIU-PDGQHHTCSA-N
MW374.28 g/mol
LogP5.20
Rot. Bonds5

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

(Z)-3-(4-bromophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 56968642) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-bromophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID56968642
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC Name(Z)-3-(4-bromophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C19H20BrNO2/c1-13(2)15-6-10-17(11-7-15)21-19(22)18(23-3)12-14-4-8-16(20)9-5-14/h4-13H,1-3H3,(H,21,22)/b18-12-
InChIKeyNXXDNZRITZDJIU-PDGQHHTCSA-N
XLogP5.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.28
LogP ≤ 55.20
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide (CID 56968642) is (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide is CO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is NXXDNZRITZDJIU-PDGQHHTCSA-N. The full InChI is InChI=1S/C19H20BrNO2/c1-13(2)15-6-10-17(11-7-15)21-19(22)18(23-3)12-14-4-8-16(20)9-5-14/h4-13H,1-3H3,(H,21,22)/b18-12-.
What are the key properties of (Z)-3-(4-bromophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide?
(Z)-3-(4-bromophenyl)-2-methoxy-N-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 374.28 g/mol, XLogP of 5.20, 5 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-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 56968642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).