N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzenecarboximidamide

C18H14ClN3O2 — CID 135853148

IUPACN'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzenecarboximidamide
SMILESN/C(=N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(O)cc1
InChIInChI=1S/C18H14ClN3O2/c19-14-3-1-2-13(10-14)17-9-8-16(24-17)11-21-22-18(20)12-4-6-15(23)7-5-12/h1-11,23H,(H2,20,22)/b21-11+
InChIKeyUTDUJGAZWIZRDQ-SRZZPIQSSA-N
MW339.78 g/mol
LogP4.05
Rot. Bonds4

About N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzenecarboximidamide

N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzenecarboximidamide (PubChem CID 135853148) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzenecarboximidamide
PubChem CID135853148
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC NameN'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzenecarboximidamide
SMILESN/C(=N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(O)cc1
InChIInChI=1S/C18H14ClN3O2/c19-14-3-1-2-13(10-14)17-9-8-16(24-17)11-21-22-18(20)12-4-6-15(23)7-5-12/h1-11,23H,(H2,20,22)/b21-11+
InChIKeyUTDUJGAZWIZRDQ-SRZZPIQSSA-N
XLogP4.05
TPSA84.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 947541
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060006
2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline
CID 50887505
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 3461046
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 26074510
3-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazol-5-amine
CID 4224953
N'-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenecarboximidamide
CID 22610708
4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide
CID 3765394
(E)-3-[4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]acetyl]phenyl]-N-hydroxyprop-2-enamide
CID 158513678
N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide
CID 95395767
N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide
CID 53371400
(1R,2S,6R,7R)-4-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 126414426

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzenecarboximidamide?
The IUPAC name of N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzenecarboximidamide (CID 135853148) is N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzenecarboximidamide.
What is the SMILES notation for N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzenecarboximidamide?
The canonical SMILES for N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzenecarboximidamide is N/C(=N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(O)cc1.
What is the InChIKey of N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzenecarboximidamide?
The InChIKey is UTDUJGAZWIZRDQ-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-14-3-1-2-13(10-14)17-9-8-16(24-17)11-21-22-18(20)12-4-6-15(23)7-5-12/h1-11,23H,(H2,20,22)/b21-11+.
What are the key properties of N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzenecarboximidamide?
N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzenecarboximidamide has a molecular weight of 339.78 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzenecarboximidamide is sourced from PubChem (CID 135853148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).