5-bromo-2-ethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide

C18H17BrN2O2 — CID 6012251

IUPAC5-bromo-2-ethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)N/N=C\C=C\c1ccccc1
InChIInChI=1S/C18H17BrN2O2/c1-2-23-17-11-10-15(19)13-16(17)18(22)21-20-12-6-9-14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,21,22)/b9-6+,20-12-
InChIKeyYVXZDPPSENBXKZ-LRFQPHQISA-N
MW373.25 g/mol
LogP4.28
Rot. Bonds6

About 5-bromo-2-ethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide

5-bromo-2-ethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide (PubChem CID 6012251) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
PubChem CID6012251
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name5-bromo-2-ethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)N/N=C\C=C\c1ccccc1
InChIInChI=1S/C18H17BrN2O2/c1-2-23-17-11-10-15(19)13-16(17)18(22)21-20-12-6-9-14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,21,22)/b9-6+,20-12-
InChIKeyYVXZDPPSENBXKZ-LRFQPHQISA-N
XLogP4.28
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-ethylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19208394
5-bromo-2-ethoxy-N-[(3-methoxyphenyl)methylideneamino]benzamide
CID 71960212
5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 4101486
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 19208016
5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4080043
2-(4-bromo-2-methoxyphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 6040296
N-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide
CID 6817822
5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 17353032
N-(cinnamylideneamino)-3,4-dimethoxybenzamide
CID 6824789
5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136843563
5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide
CID 17140940
2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 129438781

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The IUPAC name of 5-bromo-2-ethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide (CID 6012251) is 5-bromo-2-ethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is CCOc1ccc(Br)cc1C(=O)N/N=C\C=C\c1ccccc1.
What is the InChIKey of 5-bromo-2-ethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
The InChIKey is YVXZDPPSENBXKZ-LRFQPHQISA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-2-23-17-11-10-15(19)13-16(17)18(22)21-20-12-6-9-14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H,21,22)/b9-6+,20-12-.
What are the key properties of 5-bromo-2-ethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide?
5-bromo-2-ethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide has a molecular weight of 373.25 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is sourced from PubChem (CID 6012251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).