N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide

C21H19ClN2O3 — CID 7340566

IUPACN-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1
InChIInChI=1S/C21H19ClN2O3/c1-14-3-7-17(8-4-14)26-13-21(25)24-23-12-18-9-10-20(27-18)16-6-5-15(2)19(22)11-16/h3-12H,13H2,1-2H3,(H,24,25)/b23-12+
InChIKeyVENWMYDRHJTEPC-FSJBWODESA-N
MW382.85 g/mol
LogP4.75
Rot. Bonds6

About N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide

N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide (PubChem CID 7340566) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
PubChem CID7340566
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC NameN-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1
InChIInChI=1S/C21H19ClN2O3/c1-14-3-7-17(8-4-14)26-13-21(25)24-23-12-18-9-10-20(27-18)16-6-5-15(2)19(22)11-16/h3-12H,13H2,1-2H3,(H,24,25)/b23-12+
InChIKeyVENWMYDRHJTEPC-FSJBWODESA-N
XLogP4.75
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.75
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

methyl (2E)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}hydrazinecarboxylate
CID 6881370
N-{(1E)-2-[5-(4-chlorophenyl)(2-furyl)]-1-azavinyl}propanamide
CID 5875601
N'-{(E)-[5-(2-chlorophenyl)furan-2-yl]methylidene}benzohydrazide
CID 9615829
methyl N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]carbamate
CID 6882947
methyl (2E)-2-{[5-(3-chlorophenyl)furan-2-yl]methylidene}hydrazinecarboxylate
CID 6883864
2-(4-chloro-3-methylphenoxy)-N'-[(E)-(5-methylfuran-2-yl)methylidene]acetohydrazide
CID 9590061
Pyrrolidin-1-yl-acetic acid [5-(3-chloro-4-methyl-phenyl)-furan-2-ylmethylene]-hydrazide
CID 9563247
(E)-2-(4-chloro-2-methylphenoxy)-N'-(furan-2-ylmethylene)acetohydrazide
CID 9557280
N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]benzamide
CID 5333129
2-(4-Butylphenoxy)-N'-(2-furylmethylene)acetohydrazide
CID 9626232
N-[(E)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]acetamide
CID 5349713
N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 6871753

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide (CID 7340566) is N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1.
What is the InChIKey of N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide?
The InChIKey is VENWMYDRHJTEPC-FSJBWODESA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-14-3-7-17(8-4-14)26-13-21(25)24-23-12-18-9-10-20(27-18)16-6-5-15(2)19(22)11-16/h3-12H,13H2,1-2H3,(H,24,25)/b23-12+.
What are the key properties of N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide?
N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide has a molecular weight of 382.85 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 7340566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).