N-[2-[3-[(E)-methoxyiminomethyl]phenyl]phenyl]-5-nitrofuran-2-carboxamide

C19H15N3O5 — CID 58802050

IUPACN-[2-[3-[(E)-methoxyiminomethyl]phenyl]phenyl]-5-nitrofuran-2-carboxamide
SMILESCO/N=C/c1cccc(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C19H15N3O5/c1-26-20-12-13-5-4-6-14(11-13)15-7-2-3-8-16(15)21-19(23)17-9-10-18(27-17)22(24)25/h2-12H,1H3,(H,21,23)/b20-12+
InChIKeyAFRNQFKCYRQVIV-UDWIEESQSA-N
MW365.35 g/mol
LogP4.09
Rot. Bonds6

About N-[2-[3-[(E)-methoxyiminomethyl]phenyl]phenyl]-5-nitrofuran-2-carboxamide

N-[2-[3-[(E)-methoxyiminomethyl]phenyl]phenyl]-5-nitrofuran-2-carboxamide (PubChem CID 58802050) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-[2-[3-[(E)-methoxyiminomethyl]phenyl]phenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[(E)-methoxyiminomethyl]phenyl]phenyl]-5-nitrofuran-2-carboxamide
PubChem CID58802050
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC NameN-[2-[3-[(E)-methoxyiminomethyl]phenyl]phenyl]-5-nitrofuran-2-carboxamide
SMILESCO/N=C/c1cccc(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)c1
InChIInChI=1S/C19H15N3O5/c1-26-20-12-13-5-4-6-14(11-13)15-7-2-3-8-16(15)21-19(23)17-9-10-18(27-17)22(24)25/h2-12H,1H3,(H,21,23)/b20-12+
InChIKeyAFRNQFKCYRQVIV-UDWIEESQSA-N
XLogP4.09
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(E)-methoxyiminomethyl]phenyl]phenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[2-[3-[(E)-methoxyiminomethyl]phenyl]phenyl]-5-nitrofuran-2-carboxamide (CID 58802050) is N-[2-[3-[(E)-methoxyiminomethyl]phenyl]phenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[2-[3-[(E)-methoxyiminomethyl]phenyl]phenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[2-[3-[(E)-methoxyiminomethyl]phenyl]phenyl]-5-nitrofuran-2-carboxamide is CO/N=C/c1cccc(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)c1.
What is the InChIKey of N-[2-[3-[(E)-methoxyiminomethyl]phenyl]phenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is AFRNQFKCYRQVIV-UDWIEESQSA-N. The full InChI is InChI=1S/C19H15N3O5/c1-26-20-12-13-5-4-6-14(11-13)15-7-2-3-8-16(15)21-19(23)17-9-10-18(27-17)22(24)25/h2-12H,1H3,(H,21,23)/b20-12+.
What are the key properties of N-[2-[3-[(E)-methoxyiminomethyl]phenyl]phenyl]-5-nitrofuran-2-carboxamide?
N-[2-[3-[(E)-methoxyiminomethyl]phenyl]phenyl]-5-nitrofuran-2-carboxamide has a molecular weight of 365.35 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(E)-methoxyiminomethyl]phenyl]phenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 58802050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).