N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide

C21H19BrN2O3 — CID 126151109

IUPACN-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N/N=C\c2ccc(-c3ccc(C)c(Br)c3)o2)cc1
InChIInChI=1S/C21H19BrN2O3/c1-14-3-6-16(12-19(14)22)20-10-9-18(27-20)13-23-24-21(25)11-15-4-7-17(26-2)8-5-15/h3-10,12-13H,11H2,1-2H3,(H,24,25)/b23-13-
InChIKeyLESOGHAGYNUQMW-QRVIBDJDSA-N
MW427.30 g/mol
LogP4.72
Rot. Bonds6

About N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide

N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide (PubChem CID 126151109) has the molecular formula C21H19BrN2O3 and a molecular weight of 427.30 g/mol. Its IUPAC name is N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide
PubChem CID126151109
Molecular FormulaC21H19BrN2O3
Molecular Weight427.30 g/mol
Exact Mass426.06
IUPAC NameN-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N/N=C\c2ccc(-c3ccc(C)c(Br)c3)o2)cc1
InChIInChI=1S/C21H19BrN2O3/c1-14-3-6-16(12-19(14)22)20-10-9-18(27-20)13-23-24-21(25)11-15-4-7-17(26-2)8-5-15/h3-10,12-13H,11H2,1-2H3,(H,24,25)/b23-13-
InChIKeyLESOGHAGYNUQMW-QRVIBDJDSA-N
XLogP4.72
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.72
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

N-[(E)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 21379953
N-[(E)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 21370500
N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 126373501
2-(4-methoxyphenyl)-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6897039
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 21208726
N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 5436996
N-[(E)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 21379998
N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 136789403
5-bromo-N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide
CID 126148387
4-[5-[(Z)-[[2-(4-methylphenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126364419
4-[5-[(Z)-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126368157
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968721

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide (CID 126151109) is N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)N/N=C\c2ccc(-c3ccc(C)c(Br)c3)o2)cc1.
What is the InChIKey of N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide?
The InChIKey is LESOGHAGYNUQMW-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H19BrN2O3/c1-14-3-6-16(12-19(14)22)20-10-9-18(27-20)13-23-24-21(25)11-15-4-7-17(26-2)8-5-15/h3-10,12-13H,11H2,1-2H3,(H,24,25)/b23-13-.
What are the key properties of N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide?
N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide has a molecular weight of 427.30 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 126151109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).