N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide

C19H15N3O6 — CID 1363218

IUPACN-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H15N3O6/c23-18(12-28-16-9-7-15(8-10-16)22(25)26)20-13-3-5-14(6-4-13)21-19(24)17-2-1-11-27-17/h1-11H,12H2,(H,20,23)(H,21,24)
InChIKeyZROJFYPGEHRLBV-UHFFFAOYSA-N
MW381.34 g/mol
LogP3.46
Rot. Bonds7

About N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide

N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 1363218) has the molecular formula C19H15N3O6 and a molecular weight of 381.34 g/mol. Its IUPAC name is N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
PubChem CID1363218
Molecular FormulaC19H15N3O6
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC NameN-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C19H15N3O6/c23-18(12-28-16-9-7-15(8-10-16)22(25)26)20-13-3-5-14(6-4-13)21-19(24)17-2-1-11-27-17/h1-11H,12H2,(H,20,23)(H,21,24)
InChIKeyZROJFYPGEHRLBV-UHFFFAOYSA-N
XLogP3.46
TPSA123.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 3114321
N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide
CID 55776313
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide
CID 26199992
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
N-benzyl-4-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 28639887
2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide
CID 7447475
N-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55307259
methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide
CID 4781667

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide (CID 1363218) is N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is ZROJFYPGEHRLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O6/c23-18(12-28-16-9-7-15(8-10-16)22(25)26)20-13-3-5-14(6-4-13)21-19(24)17-2-1-11-27-17/h1-11H,12H2,(H,20,23)(H,21,24).
What are the key properties of N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 381.34 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1363218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).