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

C13H11ClN2O2 — CID 6870894

IUPAC4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H11ClN2O2/c1-9-2-7-12(18-9)8-15-16-13(17)10-3-5-11(14)6-4-10/h2-8H,1H3,(H,16,17)/b15-8+
InChIKeyBKUJWAHCCKUJRA-OVCLIPMQSA-N
MW262.70 g/mol
LogP3.01
Rot. Bonds3

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

4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide (PubChem CID 6870894) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
PubChem CID6870894
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H11ClN2O2/c1-9-2-7-12(18-9)8-15-16-13(17)10-3-5-11(14)6-4-10/h2-8H,1H3,(H,16,17)/b15-8+
InChIKeyBKUJWAHCCKUJRA-OVCLIPMQSA-N
XLogP3.01
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-acetamido-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 771334
3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5404639
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6872153
4-ethoxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6288022
2-(4-chlorophenyl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 5413519
4-chloro-2-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5412255
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
4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 126196378
(2S)-2-(4-chloroanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide
CID 5403140
2-(4-chloroanilino)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
CID 2863483

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide (CID 6870894) is 4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide is Cc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)o1.
What is the InChIKey of 4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is BKUJWAHCCKUJRA-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-9-2-7-12(18-9)8-15-16-13(17)10-3-5-11(14)6-4-10/h2-8H,1H3,(H,16,17)/b15-8+.
What are the key properties of 4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 262.70 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 6870894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).