(Z)-3-(4-bromophenyl)-2-methoxy-N-phenylprop-2-enamide

C16H14BrNO2 — CID 56968637

IUPAC(Z)-3-(4-bromophenyl)-2-methoxy-N-phenylprop-2-enamide
SMILESCO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H14BrNO2/c1-20-15(11-12-7-9-13(17)10-8-12)16(19)18-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19)/b15-11-
InChIKeyDPWBMDCSWXQAOO-PTNGSMBKSA-N
MW332.20 g/mol
LogP4.08
Rot. Bonds4

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

(Z)-3-(4-bromophenyl)-2-methoxy-N-phenylprop-2-enamide (PubChem CID 56968637) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is (Z)-3-(4-bromophenyl)-2-methoxy-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-bromophenyl)-2-methoxy-N-phenylprop-2-enamide
PubChem CID56968637
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name(Z)-3-(4-bromophenyl)-2-methoxy-N-phenylprop-2-enamide
SMILESCO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H14BrNO2/c1-20-15(11-12-7-9-13(17)10-8-12)16(19)18-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19)/b15-11-
InChIKeyDPWBMDCSWXQAOO-PTNGSMBKSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 54.08
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-phenylprop-2-enamide?
The IUPAC name of (Z)-3-(4-bromophenyl)-2-methoxy-N-phenylprop-2-enamide (CID 56968637) is (Z)-3-(4-bromophenyl)-2-methoxy-N-phenylprop-2-enamide.
What is the SMILES notation for (Z)-3-(4-bromophenyl)-2-methoxy-N-phenylprop-2-enamide?
The canonical SMILES for (Z)-3-(4-bromophenyl)-2-methoxy-N-phenylprop-2-enamide is CO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of (Z)-3-(4-bromophenyl)-2-methoxy-N-phenylprop-2-enamide?
The InChIKey is DPWBMDCSWXQAOO-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-20-15(11-12-7-9-13(17)10-8-12)16(19)18-14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19)/b15-11-.
What are the key properties of (Z)-3-(4-bromophenyl)-2-methoxy-N-phenylprop-2-enamide?
(Z)-3-(4-bromophenyl)-2-methoxy-N-phenylprop-2-enamide has a molecular weight of 332.20 g/mol, XLogP of 4.08, 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-phenylprop-2-enamide is sourced from PubChem (CID 56968637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).