5-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide

C18H20N4O5 — CID 6491079

IUPAC5-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1
InChIInChI=1S/C18H20N4O5/c1-2-16(23)21-11-9-20(10-12-21)14-6-4-3-5-13(14)19-18(24)15-7-8-17(27-15)22(25)26/h3-8H,2,9-12H2,1H3,(H,19,24)
InChIKeyLXKRGDAHTGGIQA-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.50
Rot. Bonds5

About 5-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide

5-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 6491079) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 5-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
PubChem CID6491079
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name5-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1
InChIInChI=1S/C18H20N4O5/c1-2-16(23)21-11-9-20(10-12-21)14-6-4-3-5-13(14)19-18(24)15-7-8-17(27-15)22(25)26/h3-8H,2,9-12H2,1H3,(H,19,24)
InChIKeyLXKRGDAHTGGIQA-UHFFFAOYSA-N
XLogP2.50
TPSA108.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
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

N-(4-iodophenyl)-5-nitrofuran-2-carboxamide
CID 1103958
N-(2-morpholinophenyl)-5-nitrofuran-2-carboxamide
CID 2996093
(4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone
CID 726209
1-(4-Fluorophenyl)-4-[(5-nitro-2-furyl)methyl]piperazine
CID 754118
N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide
CID 774010
N-(4-morpholin-4-ylphenyl)-5-nitrofuran-2-carboxamide
CID 774021
1-[(5-Nitro-2-furyl)methyl]-4-phenylpiperazine
CID 791226
N-[2-(4-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 953649
N-(4-hydroxyphenyl)(5-nitro(2-furyl))carboxamide
CID 3099053
N-(2-methoxyphenyl)-5-nitrofuran-2-carboxamide
CID 694009
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 1048482
N-{3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl}-5-nitrofuran-2-carboxamide
CID 1088361

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide (CID 6491079) is 5-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide is CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1.
What is the InChIKey of 5-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is LXKRGDAHTGGIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-2-16(23)21-11-9-20(10-12-21)14-6-4-3-5-13(14)19-18(24)15-7-8-17(27-15)22(25)26/h3-8H,2,9-12H2,1H3,(H,19,24).
What are the key properties of 5-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide?
5-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 6491079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).