N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide

C16H11ClN2O3 — CID 29227500

IUPACN-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccco1
InChIInChI=1S/C16H11ClN2O3/c17-12-5-3-11(4-6-12)14-8-7-13(22-14)10-18-19-16(20)15-2-1-9-21-15/h1-10H,(H,19,20)/b18-10-
InChIKeyXNQFKONETUMZRF-ZDLGFXPLSA-N
MW314.73 g/mol
LogP3.96
Rot. Bonds4

About N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide

N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide (PubChem CID 29227500) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
PubChem CID29227500
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC NameN-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccco1
InChIInChI=1S/C16H11ClN2O3/c17-12-5-3-11(4-6-12)14-8-7-13(22-14)10-18-19-16(20)15-2-1-9-21-15/h1-10H,(H,19,20)/b18-10-
InChIKeyXNQFKONETUMZRF-ZDLGFXPLSA-N
XLogP3.96
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.96
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-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
CID 126041118
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6872153
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 6891757
N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide
CID 668435
4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide
CID 18283704
2-[5-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 5427044
N-[(E)-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]furan-2-carboxamide
CID 126207531
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3104265
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 4244827
2-(4-chloroanilino)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126371391
[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]thiourea
CID 841815
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 3398887

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide (CID 29227500) is N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide is O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccco1.
What is the InChIKey of N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide?
The InChIKey is XNQFKONETUMZRF-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c17-12-5-3-11(4-6-12)14-8-7-13(22-14)10-18-19-16(20)15-2-1-9-21-15/h1-10H,(H,19,20)/b18-10-.
What are the key properties of N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide?
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide has a molecular weight of 314.73 g/mol, XLogP of 3.96, 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-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 29227500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).