4-chloro-N-[(Z)-1-(3,5-dimethylfuran-2-yl)ethylideneamino]benzamide

C15H15ClN2O2 — CID 94188811

IUPAC4-chloro-N-[(Z)-1-(3,5-dimethylfuran-2-yl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(Cl)cc1)c1oc(C)cc1C
InChIInChI=1S/C15H15ClN2O2/c1-9-8-10(2)20-14(9)11(3)17-18-15(19)12-4-6-13(16)7-5-12/h4-8H,1-3H3,(H,18,19)/b17-11-
InChIKeyPZVPPVNYTJZUFP-BOPFTXTBSA-N
MW290.75 g/mol
LogP3.70
Rot. Bonds3

About 4-chloro-N-[(Z)-1-(3,5-dimethylfuran-2-yl)ethylideneamino]benzamide

4-chloro-N-[(Z)-1-(3,5-dimethylfuran-2-yl)ethylideneamino]benzamide (PubChem CID 94188811) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-1-(3,5-dimethylfuran-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-1-(3,5-dimethylfuran-2-yl)ethylideneamino]benzamide
PubChem CID94188811
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-chloro-N-[(Z)-1-(3,5-dimethylfuran-2-yl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(Cl)cc1)c1oc(C)cc1C
InChIInChI=1S/C15H15ClN2O2/c1-9-8-10(2)20-14(9)11(3)17-18-15(19)12-4-6-13(16)7-5-12/h4-8H,1-3H3,(H,18,19)/b17-11-
InChIKeyPZVPPVNYTJZUFP-BOPFTXTBSA-N
XLogP3.70
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.70
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-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 5401165
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
4-chloro-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide
CID 135607776
4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide
CID 689927
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide
CID 9016562
4-chloro-N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 3299264
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide
CID 137156329
N-[(E)-[(3E)-3-(benzoylhydrazinylidene)butan-2-ylidene]amino]-4-chlorobenzamide
CID 11068273
(2E)-2-[(4-chlorobenzoyl)hydrazinylidene]propanoic acid;hydrate
CID 139076387
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169613

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-1-(3,5-dimethylfuran-2-yl)ethylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-1-(3,5-dimethylfuran-2-yl)ethylideneamino]benzamide (CID 94188811) is 4-chloro-N-[(Z)-1-(3,5-dimethylfuran-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-1-(3,5-dimethylfuran-2-yl)ethylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-1-(3,5-dimethylfuran-2-yl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccc(Cl)cc1)c1oc(C)cc1C.
What is the InChIKey of 4-chloro-N-[(Z)-1-(3,5-dimethylfuran-2-yl)ethylideneamino]benzamide?
The InChIKey is PZVPPVNYTJZUFP-BOPFTXTBSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-8-10(2)20-14(9)11(3)17-18-15(19)12-4-6-13(16)7-5-12/h4-8H,1-3H3,(H,18,19)/b17-11-.
What are the key properties of 4-chloro-N-[(Z)-1-(3,5-dimethylfuran-2-yl)ethylideneamino]benzamide?
4-chloro-N-[(Z)-1-(3,5-dimethylfuran-2-yl)ethylideneamino]benzamide has a molecular weight of 290.75 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-1-(3,5-dimethylfuran-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 94188811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).