N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide

C13H11N3O5 — CID 7965625

IUPACN-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O5/c17-12(8-14-13(18)11-5-2-6-21-11)15-9-3-1-4-10(7-9)16(19)20/h1-7H,8H2,(H,14,18)(H,15,17)
InChIKeyULXWQUWKEOCTHV-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.56
Rot. Bonds5

About N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 7965625) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID7965625
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC NameN-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O5/c17-12(8-14-13(18)11-5-2-6-21-11)15-9-3-1-4-10(7-9)16(19)20/h1-7H,8H2,(H,14,18)(H,15,17)
InChIKeyULXWQUWKEOCTHV-UHFFFAOYSA-N
XLogP1.56
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 46791458
N-[2-(3-methylsulfanylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9402829
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 1452101
N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1333464
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide
CID 37376311
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide
CID 32878628
N-[3-[(2-chloro-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 40510567
[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7879587
N-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9141000
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 6461351
N-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 15993765

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide (CID 7965625) is N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is ULXWQUWKEOCTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5/c17-12(8-14-13(18)11-5-2-6-21-11)15-9-3-1-4-10(7-9)16(19)20/h1-7H,8H2,(H,14,18)(H,15,17).
What are the key properties of N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 289.25 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 7965625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).