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

C21H20ClN3O3 — CID 50930000

IUPACN-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)N/N=C/c1ccc(-c2ccc(C)c(Cl)c2)o1
InChIInChI=1S/C21H20ClN3O3/c1-14-7-8-15(11-17(14)22)19-10-9-16(28-19)12-24-25-21(26)13-23-18-5-3-4-6-20(18)27-2/h3-12,23H,13H2,1-2H3,(H,25,26)/b24-12+
InChIKeyXFYQDDQRAIVRCN-WYMPLXKRSA-N
MW397.86 g/mol
LogP4.48
Rot. Bonds7

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

N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(2-methoxyanilino)acetamide (PubChem CID 50930000) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(2-methoxyanilino)acetamide
PubChem CID50930000
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)N/N=C/c1ccc(-c2ccc(C)c(Cl)c2)o1
InChIInChI=1S/C21H20ClN3O3/c1-14-7-8-15(11-17(14)22)19-10-9-16(28-19)12-24-25-21(26)13-23-18-5-3-4-6-20(18)27-2/h3-12,23H,13H2,1-2H3,(H,25,26)/b24-12+
InChIKeyXFYQDDQRAIVRCN-WYMPLXKRSA-N
XLogP4.48
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxyanilino)-N-[(E)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 50930002
N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 5436996
2-(4-bromoanilino)-N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]acetamide
CID 126351374
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-methylanilino)acetamide
CID 1356875
2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]acetamide
CID 126088791
N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245729
5-[5-[[(2-methoxyphenyl)carbamoylhydrazinylidene]methyl]furan-2-yl]-2-methylbenzoic acid
CID 3267718
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 6910847
N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-(2-methylanilino)acetamide
CID 6322085
2-(2-methoxyanilino)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 50930001
N-[(Z)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenoxy)acetamide
CID 50929945
N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-methylaniline
CID 56695507

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(2-methoxyanilino)acetamide?
The IUPAC name of N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(2-methoxyanilino)acetamide (CID 50930000) is N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(2-methoxyanilino)acetamide.
What is the SMILES notation for N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(2-methoxyanilino)acetamide?
The canonical SMILES for N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(2-methoxyanilino)acetamide is COc1ccccc1NCC(=O)N/N=C/c1ccc(-c2ccc(C)c(Cl)c2)o1.
What is the InChIKey of N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(2-methoxyanilino)acetamide?
The InChIKey is XFYQDDQRAIVRCN-WYMPLXKRSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-14-7-8-15(11-17(14)22)19-10-9-16(28-19)12-24-25-21(26)13-23-18-5-3-4-6-20(18)27-2/h3-12,23H,13H2,1-2H3,(H,25,26)/b24-12+.
What are the key properties of N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(2-methoxyanilino)acetamide?
N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(2-methoxyanilino)acetamide has a molecular weight of 397.86 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-(2-methoxyanilino)acetamide is sourced from PubChem (CID 50930000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).