4-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide

C14H13ClN2O2 — CID 5401165

IUPAC4-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccc(C)o1
InChIInChI=1S/C14H13ClN2O2/c1-9-3-8-13(19-9)10(2)16-17-14(18)11-4-6-12(15)7-5-11/h3-8H,1-2H3,(H,17,18)/b16-10-
InChIKeyHTGBSARXEVHDDN-YBEGLDIGSA-N
MW276.72 g/mol
LogP3.40
Rot. Bonds3

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

4-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide (PubChem CID 5401165) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide
PubChem CID5401165
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccc(C)o1
InChIInChI=1S/C14H13ClN2O2/c1-9-3-8-13(19-9)10(2)16-17-14(18)11-4-6-12(15)7-5-11/h3-8H,1-2H3,(H,17,18)/b16-10-
InChIKeyHTGBSARXEVHDDN-YBEGLDIGSA-N
XLogP3.40
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.40
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-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 3656124
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
4-chloro-N-[(Z)-1-(3,5-dimethylfuran-2-yl)ethylideneamino]benzamide
CID 94188811
4-chloro-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzamide
CID 135607776
2-methoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 868019
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 171131786
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide
CID 689927
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6077693
5-bromo-N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6027501
2-hydroxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]-2-phenylacetamide
CID 5013172
3-hydroxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]naphthalene-2-carboxamide
CID 5413691

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide (CID 5401165) is 4-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccc(C)o1.
What is the InChIKey of 4-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide?
The InChIKey is HTGBSARXEVHDDN-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-3-8-13(19-9)10(2)16-17-14(18)11-4-6-12(15)7-5-11/h3-8H,1-2H3,(H,17,18)/b16-10-.
What are the key properties of 4-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide?
4-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide has a molecular weight of 276.72 g/mol, XLogP of 3.40, 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-(5-methylfuran-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 5401165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).