N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide

C18H14BrN3O2 — CID 9467627

IUPACN-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)N/N=C\C(Br)=C\c1ccccc1
InChIInChI=1S/C18H14BrN3O2/c19-16(10-14-6-2-1-3-7-14)12-21-22-18(23)13-24-17-9-5-4-8-15(17)11-20/h1-10,12H,13H2,(H,22,23)/b16-10-,21-12-
InChIKeyLTSBIFGYQSHANA-ZFSRMNHASA-N
MW384.23 g/mol
LogP3.48
Rot. Bonds6

About N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide

N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide (PubChem CID 9467627) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide
PubChem CID9467627
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC NameN-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)N/N=C\C(Br)=C\c1ccccc1
InChIInChI=1S/C18H14BrN3O2/c19-16(10-14-6-2-1-3-7-14)12-21-22-18(23)13-24-17-9-5-4-8-15(17)11-20/h1-10,12H,13H2,(H,22,23)/b16-10-,21-12-
InChIKeyLTSBIFGYQSHANA-ZFSRMNHASA-N
XLogP3.48
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129438375
N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
CID 789568
2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 42995701
4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 110209219
N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2,5-dichlorophenoxy)acetamide
CID 3315608
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 5392514
2-(2-cyanophenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 7032347
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide
CID 5407602
2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 7038076
2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
CID 780706
2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 42995743
2-(2-cyanophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 9467550

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide?
The IUPAC name of N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide (CID 9467627) is N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide?
The canonical SMILES for N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide is N#Cc1ccccc1OCC(=O)N/N=C\C(Br)=C\c1ccccc1.
What is the InChIKey of N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide?
The InChIKey is LTSBIFGYQSHANA-ZFSRMNHASA-N. The full InChI is InChI=1S/C18H14BrN3O2/c19-16(10-14-6-2-1-3-7-14)12-21-22-18(23)13-24-17-9-5-4-8-15(17)11-20/h1-10,12H,13H2,(H,22,23)/b16-10-,21-12-.
What are the key properties of N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide?
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide has a molecular weight of 384.23 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide is sourced from PubChem (CID 9467627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).