N-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide

C13H11N3O4 — CID 760185

IUPACN-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide
SMILESCC(=NNC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11N3O4/c1-9(10-4-6-11(7-5-10)16(18)19)14-15-13(17)12-3-2-8-20-12/h2-8H,1H3,(H,15,17)
InChIKeyGGOCASTZKTWWQJ-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.34
Rot. Bonds4

About N-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide

N-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide (PubChem CID 760185) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide
PubChem CID760185
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC NameN-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide
SMILESCC(=NNC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11N3O4/c1-9(10-4-6-11(7-5-10)16(18)19)14-15-13(17)12-3-2-8-20-12/h2-8H,1H3,(H,15,17)
InChIKeyGGOCASTZKTWWQJ-UHFFFAOYSA-N
XLogP2.34
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.34
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-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
CID 5340021
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide
CID 9014822
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
N-[(E)-1-naphthalen-2-ylethylideneamino]furan-2-carboxamide
CID 7460942
N-[(Z)-1-(4-pentylphenyl)ethylideneamino]furan-2-carboxamide
CID 6105123
2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 796032
N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6949118

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide?
The IUPAC name of N-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide (CID 760185) is N-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide is CC(=NNC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide?
The InChIKey is GGOCASTZKTWWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-9(10-4-6-11(7-5-10)16(18)19)14-15-13(17)12-3-2-8-20-12/h2-8H,1H3,(H,15,17).
What are the key properties of N-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide?
N-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide has a molecular weight of 273.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-nitrophenyl)ethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 760185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).