4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide

C15H15N3O3 — CID 771334

IUPAC4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(C)o2)cc1
InChIInChI=1S/C15H15N3O3/c1-10-3-8-14(21-10)9-16-18-15(20)12-4-6-13(7-5-12)17-11(2)19/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyKIZKWKQRIRSQSL-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.31
Rot. Bonds4

About 4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide

4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide (PubChem CID 771334) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
PubChem CID771334
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(C)o2)cc1
InChIInChI=1S/C15H15N3O3/c1-10-3-8-14(21-10)9-16-18-15(20)12-4-6-13(7-5-12)17-11(2)19/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyKIZKWKQRIRSQSL-UHFFFAOYSA-N
XLogP2.31
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
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

4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 920980
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
4-(cyclohexanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4510231
4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6288022
3,5-dihydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5397422
6-methyl-N-[(5-methylfuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 677340
1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
4-(3-methylbutoxy)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 4927427
3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5404639
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide (CID 771334) is 4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide is CC(=O)Nc1ccc(C(=O)NN=Cc2ccc(C)o2)cc1.
What is the InChIKey of 4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is KIZKWKQRIRSQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-3-8-14(21-10)9-16-18-15(20)12-4-6-13(7-5-12)17-11(2)19/h3-9H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide?
4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 285.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 771334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).