4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]benzamide

C20H17N3O3 — CID 50885342

IUPAC4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]benzamide
SMILESCC(=O)Nc1ccc(/N=C/c2ccc(-c3ccc(C(N)=O)cc3)o2)cc1
InChIInChI=1S/C20H17N3O3/c1-13(24)23-17-8-6-16(7-9-17)22-12-18-10-11-19(26-18)14-2-4-15(5-3-14)20(21)25/h2-12H,1H3,(H2,21,25)(H,23,24)/b22-12+
InChIKeyCYWWVCNGGMGZSQ-WSDLNYQXSA-N
MW347.37 g/mol
LogP3.75
Rot. Bonds5

About 4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]benzamide

4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]benzamide (PubChem CID 50885342) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]benzamide
PubChem CID50885342
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]benzamide
SMILESCC(=O)Nc1ccc(/N=C/c2ccc(-c3ccc(C(N)=O)cc3)o2)cc1
InChIInChI=1S/C20H17N3O3/c1-13(24)23-17-8-6-16(7-9-17)22-12-18-10-11-19(26-18)14-2-4-15(5-3-14)20(21)25/h2-12H,1H3,(H2,21,25)(H,23,24)/b22-12+
InChIKeyCYWWVCNGGMGZSQ-WSDLNYQXSA-N
XLogP3.75
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzamide
CID 50885343
4-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 794816
4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 17389017
1-[4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]phenyl]ethanone
CID 50884928
4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 51138316
benzyl 4-[5-[(4-hydroxyphenyl)iminomethyl]furan-2-yl]benzoate
CID 50884762
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
ethyl 4-[5-[(Z)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 9179490
ethyl 4-[5-[(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 840770
butyl 4-[5-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 126069847
4-[5-[(Z)-(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 6115254
(Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 10362945

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]benzamide?
The IUPAC name of 4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]benzamide (CID 50885342) is 4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]benzamide.
What is the SMILES notation for 4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]benzamide?
The canonical SMILES for 4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]benzamide is CC(=O)Nc1ccc(/N=C/c2ccc(-c3ccc(C(N)=O)cc3)o2)cc1.
What is the InChIKey of 4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]benzamide?
The InChIKey is CYWWVCNGGMGZSQ-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13(24)23-17-8-6-16(7-9-17)22-12-18-10-11-19(26-18)14-2-4-15(5-3-14)20(21)25/h2-12H,1H3,(H2,21,25)(H,23,24)/b22-12+.
What are the key properties of 4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]benzamide?
4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]benzamide has a molecular weight of 347.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-acetamidophenyl)iminomethyl]furan-2-yl]benzamide is sourced from PubChem (CID 50885342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).