3-acetamido-N-(furan-2-ylmethylideneamino)benzamide

C14H13N3O3 — CID 967548

IUPAC3-acetamido-N-(furan-2-ylmethylideneamino)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NN=Cc2ccco2)c1
InChIInChI=1S/C14H13N3O3/c1-10(18)16-12-5-2-4-11(8-12)14(19)17-15-9-13-6-3-7-20-13/h2-9H,1H3,(H,16,18)(H,17,19)
InChIKeyKRZROFDFZOIZOG-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.00
Rot. Bonds4

About 3-acetamido-N-(furan-2-ylmethylideneamino)benzamide

3-acetamido-N-(furan-2-ylmethylideneamino)benzamide (PubChem CID 967548) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-acetamido-N-(furan-2-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(furan-2-ylmethylideneamino)benzamide
PubChem CID967548
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name3-acetamido-N-(furan-2-ylmethylideneamino)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NN=Cc2ccco2)c1
InChIInChI=1S/C14H13N3O3/c1-10(18)16-12-5-2-4-11(8-12)14(19)17-15-9-13-6-3-7-20-13/h2-9H,1H3,(H,16,18)(H,17,19)
InChIKeyKRZROFDFZOIZOG-UHFFFAOYSA-N
XLogP2.00
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.00
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

3-[(4-chlorobenzoyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]benzamide
CID 5435136
3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide
CID 1034838
3-fluoro-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6895117
3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide
CID 4675138
3-acetamido-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]benzamide
CID 5427617
3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide
CID 4991897
3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771273
3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 3877269
N-(furan-2-ylmethylideneamino)-3-[hydroxy(oxido)amino]benzamide
CID 163138567
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
N-(furan-2-ylmethylideneamino)naphthalene-2-carboxamide
CID 67077074
N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide
CID 5416550

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(furan-2-ylmethylideneamino)benzamide?
The IUPAC name of 3-acetamido-N-(furan-2-ylmethylideneamino)benzamide (CID 967548) is 3-acetamido-N-(furan-2-ylmethylideneamino)benzamide.
What is the SMILES notation for 3-acetamido-N-(furan-2-ylmethylideneamino)benzamide?
The canonical SMILES for 3-acetamido-N-(furan-2-ylmethylideneamino)benzamide is CC(=O)Nc1cccc(C(=O)NN=Cc2ccco2)c1.
What is the InChIKey of 3-acetamido-N-(furan-2-ylmethylideneamino)benzamide?
The InChIKey is KRZROFDFZOIZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-10(18)16-12-5-2-4-11(8-12)14(19)17-15-9-13-6-3-7-20-13/h2-9H,1H3,(H,16,18)(H,17,19).
What are the key properties of 3-acetamido-N-(furan-2-ylmethylideneamino)benzamide?
3-acetamido-N-(furan-2-ylmethylideneamino)benzamide has a molecular weight of 271.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(furan-2-ylmethylideneamino)benzamide is sourced from PubChem (CID 967548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).