(Z)-N,3-bis(4-bromophenyl)-2-methoxyprop-2-enamide

C16H13Br2NO2 — CID 56968640

IUPAC(Z)-N,3-bis(4-bromophenyl)-2-methoxyprop-2-enamide
SMILESCO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H13Br2NO2/c1-21-15(10-11-2-4-12(17)5-3-11)16(20)19-14-8-6-13(18)7-9-14/h2-10H,1H3,(H,19,20)/b15-10-
InChIKeyCMYAWIAIXCHVSG-GDNBJRDFSA-N
MW411.09 g/mol
LogP4.84
Rot. Bonds4

About (Z)-N,3-bis(4-bromophenyl)-2-methoxyprop-2-enamide

(Z)-N,3-bis(4-bromophenyl)-2-methoxyprop-2-enamide (PubChem CID 56968640) has the molecular formula C16H13Br2NO2 and a molecular weight of 411.09 g/mol. Its IUPAC name is (Z)-N,3-bis(4-bromophenyl)-2-methoxyprop-2-enamide.

Molecular Properties

Compound Name(Z)-N,3-bis(4-bromophenyl)-2-methoxyprop-2-enamide
PubChem CID56968640
Molecular FormulaC16H13Br2NO2
Molecular Weight411.09 g/mol
Exact Mass408.93
IUPAC Name(Z)-N,3-bis(4-bromophenyl)-2-methoxyprop-2-enamide
SMILESCO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H13Br2NO2/c1-21-15(10-11-2-4-12(17)5-3-11)16(20)19-14-8-6-13(18)7-9-14/h2-10H,1H3,(H,19,20)/b15-10-
InChIKeyCMYAWIAIXCHVSG-GDNBJRDFSA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.09
LogP ≤ 54.84
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)-N,3-bis(4-bromophenyl)-2-methoxyprop-2-enamide?
The IUPAC name of (Z)-N,3-bis(4-bromophenyl)-2-methoxyprop-2-enamide (CID 56968640) is (Z)-N,3-bis(4-bromophenyl)-2-methoxyprop-2-enamide.
What is the SMILES notation for (Z)-N,3-bis(4-bromophenyl)-2-methoxyprop-2-enamide?
The canonical SMILES for (Z)-N,3-bis(4-bromophenyl)-2-methoxyprop-2-enamide is CO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (Z)-N,3-bis(4-bromophenyl)-2-methoxyprop-2-enamide?
The InChIKey is CMYAWIAIXCHVSG-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H13Br2NO2/c1-21-15(10-11-2-4-12(17)5-3-11)16(20)19-14-8-6-13(18)7-9-14/h2-10H,1H3,(H,19,20)/b15-10-.
What are the key properties of (Z)-N,3-bis(4-bromophenyl)-2-methoxyprop-2-enamide?
(Z)-N,3-bis(4-bromophenyl)-2-methoxyprop-2-enamide has a molecular weight of 411.09 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3-bis(4-bromophenyl)-2-methoxyprop-2-enamide is sourced from PubChem (CID 56968640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).