5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide

C18H13ClN2O6 — CID 19459722

IUPAC5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1
InChIInChI=1S/C18H13ClN2O6/c19-15-6-4-12(21(24)25)9-17(15)26-10-14-5-7-16(27-14)18(23)20-11-2-1-3-13(22)8-11/h1-9,22H,10H2,(H,20,23)
InChIKeyHXUWKKSEEAZDCR-UHFFFAOYSA-N
MW388.76 g/mol
LogP4.38
Rot. Bonds6

About 5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide

5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide (PubChem CID 19459722) has the molecular formula C18H13ClN2O6 and a molecular weight of 388.76 g/mol. Its IUPAC name is 5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
PubChem CID19459722
Molecular FormulaC18H13ClN2O6
Molecular Weight388.76 g/mol
Exact Mass388.05
IUPAC Name5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1
InChIInChI=1S/C18H13ClN2O6/c19-15-6-4-12(21(24)25)9-17(15)26-10-14-5-7-16(27-14)18(23)20-11-2-1-3-13(22)8-11/h1-9,22H,10H2,(H,20,23)
InChIKeyHXUWKKSEEAZDCR-UHFFFAOYSA-N
XLogP4.38
TPSA114.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.76
LogP ≤ 54.38
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

5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 19459453
5-[(2-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19458803
5-[(2-chloro-4-nitrophenoxy)methyl]-N-(4-nitrophenyl)furan-2-carboxamide
CID 19461760
N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19415750
5-[(2-chloro-5-nitrophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19459720
methyl 3-chloro-6-[[5-[(2-chloro-5-nitrophenoxy)methyl]furan-2-carbonyl]amino]-1-benzothiophene-2-carboxylate
CID 19459652
5-[(2-chloro-5-nitrophenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide
CID 19459513
5-[(2-chloro-5-nitrophenoxy)methyl]-N-cycloheptylfuran-2-carboxamide
CID 19459447
N-(1-benzyl-1,2,4-triazol-3-yl)-5-[(2-chloro-5-nitrophenoxy)methyl]furan-2-carboxamide
CID 19459633
5-[(2-chlorophenoxy)methyl]-N-(2,6-dibromo-4-nitrophenyl)furan-2-carboxamide
CID 19457031
5-[(2-chloro-4-nitrophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 19461798
5-[(2-chloro-5-nitrophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]furan-2-carboxamide
CID 19459716

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide (CID 19459722) is 5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide is O=C(Nc1cccc(O)c1)c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1.
What is the InChIKey of 5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide?
The InChIKey is HXUWKKSEEAZDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O6/c19-15-6-4-12(21(24)25)9-17(15)26-10-14-5-7-16(27-14)18(23)20-11-2-1-3-13(22)8-11/h1-9,22H,10H2,(H,20,23).
What are the key properties of 5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide?
5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide has a molecular weight of 388.76 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 19459722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).