N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide

C14H13ClN2O2 — CID 760437

IUPACN-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NN=Cc2ccccc2Cl)c(C)o1
InChIInChI=1S/C14H13ClN2O2/c1-9-7-12(10(2)19-9)14(18)17-16-8-11-5-3-4-6-13(11)15/h3-8H,1-2H3,(H,17,18)
InChIKeyFJRZOBVXRWVIIQ-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.31
Rot. Bonds3

About N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide

N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 760437) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
PubChem CID760437
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NN=Cc2ccccc2Cl)c(C)o1
InChIInChI=1S/C14H13ClN2O2/c1-9-7-12(10(2)19-9)14(18)17-16-8-11-5-3-4-6-13(11)15/h3-8H,1-2H3,(H,17,18)
InChIKeyFJRZOBVXRWVIIQ-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
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-[(E)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6893755
N-[(Z)-(2-fluorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5412703
2,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]furan-3-carboxamide
CID 847616
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6893654
N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2594194
N-[(2,3-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760406
N-[(E)-1H-indol-3-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135497938
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135529636
2,5-dimethyl-N-[(E)-(3-methylphenyl)methylideneamino]furan-3-carboxamide
CID 6893777
N-[(E)-furan-2-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 7727331
2,5-dimethyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 6893765
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide (CID 760437) is N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NN=Cc2ccccc2Cl)c(C)o1.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is FJRZOBVXRWVIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-7-12(10(2)19-9)14(18)17-16-8-11-5-3-4-6-13(11)15/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 760437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).