N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-nitrofuran-2-carboxamide

C17H19FN4O4 — CID 34999671

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-nitrofuran-2-carboxamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H19FN4O4/c18-13-1-3-14(4-2-13)21-11-9-20(10-12-21)8-7-19-17(23)15-5-6-16(26-15)22(24)25/h1-6H,7-12H2,(H,19,23)
InChIKeyWHCYMTJTQUOYOZ-UHFFFAOYSA-N
MW362.36 g/mol
LogP1.88
Rot. Bonds6

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-nitrofuran-2-carboxamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-nitrofuran-2-carboxamide (PubChem CID 34999671) has the molecular formula C17H19FN4O4 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-nitrofuran-2-carboxamide
PubChem CID34999671
Molecular FormulaC17H19FN4O4
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-nitrofuran-2-carboxamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H19FN4O4/c18-13-1-3-14(4-2-13)21-11-9-20(10-12-21)8-7-19-17(23)15-5-6-16(26-15)22(24)25/h1-6H,7-12H2,(H,19,23)
InChIKeyWHCYMTJTQUOYOZ-UHFFFAOYSA-N
XLogP1.88
TPSA91.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 51.88
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

5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride
CID 119445931
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-5-nitrofuran-2-carboxamide
CID 94116270
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
2-(4-aminophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 119902192
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 42266990
5-nitro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride
CID 71782824
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56546152
N'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268601
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 42266624
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 42266552
2-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266374

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-nitrofuran-2-carboxamide (CID 34999671) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-nitrofuran-2-carboxamide is O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-nitrofuran-2-carboxamide?
The InChIKey is WHCYMTJTQUOYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O4/c18-13-1-3-14(4-2-13)21-11-9-20(10-12-21)8-7-19-17(23)15-5-6-16(26-15)22(24)25/h1-6H,7-12H2,(H,19,23).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-nitrofuran-2-carboxamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-nitrofuran-2-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 34999671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).