N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide

C13H11ClN2O2 — CID 5340130

IUPACN-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1cccc(Cl)c1
InChIInChI=1S/C13H11ClN2O2/c1-9-12(5-6-18-9)13(17)16-15-8-10-3-2-4-11(14)7-10/h2-8H,1H3,(H,16,17)/b15-8+
InChIKeyRELAXHWRGDPGQB-OVCLIPMQSA-N
MW262.70 g/mol
LogP3.01
Rot. Bonds3

About N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide

N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 5340130) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID5340130
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC NameN-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1cccc(Cl)c1
InChIInChI=1S/C13H11ClN2O2/c1-9-12(5-6-18-9)13(17)16-15-8-10-3-2-4-11(14)7-10/h2-8H,1H3,(H,16,17)/b15-8+
InChIKeyRELAXHWRGDPGQB-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

N-[(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 870863
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide
CID 6878666
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 135781724
2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 71952071
N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 872797
N-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 4105460
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 136672376
N-[(Z)-(2,4-dichloro-6-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 136934865
2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide
CID 6899012
2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide
CID 5412695
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 136851848

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide (CID 5340130) is N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N/N=C/c1cccc(Cl)c1.
What is the InChIKey of N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is RELAXHWRGDPGQB-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-9-12(5-6-18-9)13(17)16-15-8-10-3-2-4-11(14)7-10/h2-8H,1H3,(H,16,17)/b15-8+.
What are the key properties of N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide?
N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide 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 N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 5340130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).