N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide

C19H13N3O2 — CID 126020827

IUPACN-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide
SMILESN#Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C19H13N3O2/c20-12-14-6-8-15(9-7-14)18-11-10-17(24-18)13-21-22-19(23)16-4-2-1-3-5-16/h1-11,13H,(H,22,23)/b21-13-
InChIKeyHKKFXKXJUJLGLV-BKUYFWCQSA-N
MW315.33 g/mol
LogP3.58
Rot. Bonds4

About N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide

N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide (PubChem CID 126020827) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide
PubChem CID126020827
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC NameN-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide
SMILESN#Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C19H13N3O2/c20-12-14-6-8-15(9-7-14)18-11-10-17(24-18)13-21-22-19(23)16-4-2-1-3-5-16/h1-11,13H,(H,22,23)/b21-13-
InChIKeyHKKFXKXJUJLGLV-BKUYFWCQSA-N
XLogP3.58
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.58
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

N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 126029202
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 5333131
N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 126028192
N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide
CID 681341
(Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid
CID 58631623
N-[(E)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 126024433
4-[5-[(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 772353
2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 50883717
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6872153
N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 50883784
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide
CID 5397633
4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide
CID 18283704

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide?
The IUPAC name of N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide (CID 126020827) is N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide is N#Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccccc3)o2)cc1.
What is the InChIKey of N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide?
The InChIKey is HKKFXKXJUJLGLV-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H13N3O2/c20-12-14-6-8-15(9-7-14)18-11-10-17(24-18)13-21-22-19(23)16-4-2-1-3-5-16/h1-11,13H,(H,22,23)/b21-13-.
What are the key properties of N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide?
N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide has a molecular weight of 315.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 126020827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).