N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide

C12H8ClN3O4 — CID 6878496

IUPACN-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1
InChIInChI=1S/C12H8ClN3O4/c13-9-4-3-8(6-10(9)16(18)19)7-14-15-12(17)11-2-1-5-20-11/h1-7H,(H,15,17)/b14-7+
InChIKeyVOSYPRYLRMEULM-VGOFMYFVSA-N
MW293.67 g/mol
LogP2.61
Rot. Bonds4

About N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide

N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide (PubChem CID 6878496) has the molecular formula C12H8ClN3O4 and a molecular weight of 293.67 g/mol. Its IUPAC name is N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide
PubChem CID6878496
Molecular FormulaC12H8ClN3O4
Molecular Weight293.67 g/mol
Exact Mass293.02
IUPAC NameN-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1
InChIInChI=1S/C12H8ClN3O4/c13-9-4-3-8(6-10(9)16(18)19)7-14-15-12(17)11-2-1-5-20-11/h1-7H,(H,15,17)/b14-7+
InChIKeyVOSYPRYLRMEULM-VGOFMYFVSA-N
XLogP2.61
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.67
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide
CID 5401936
N-[(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]furan-2-carboxamide
CID 3793255
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide
CID 693438
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide
CID 1123704
methyl N-[(4-chloro-3-nitrophenyl)methylideneamino]carbamate
CID 909430
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5431937
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 764254
N-benzyl-N'-[(4-chloro-3-nitrophenyl)methylideneamino]butanediamide
CID 3282009
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464583
(E)-N-[(4-chloro-3-nitrophenyl)methylideneamino]-3-phenylprop-2-enamide
CID 19165148
N-[(Z)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136661630
1-benzyl-3-[(4-chloro-3-nitrophenyl)methylideneamino]thiourea
CID 3295851

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide (CID 6878496) is N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide is O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1.
What is the InChIKey of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is VOSYPRYLRMEULM-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H8ClN3O4/c13-9-4-3-8(6-10(9)16(18)19)7-14-15-12(17)11-2-1-5-20-11/h1-7H,(H,15,17)/b14-7+.
What are the key properties of N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide?
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 293.67 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6878496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).