N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide

C23H21ClN4O6 — CID 17118163

IUPACN-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1
InChIInChI=1S/C23H21ClN4O6/c24-19-14-16(25-22(29)15-34-18-6-4-17(5-7-18)28(31)32)3-8-20(19)26-9-11-27(12-10-26)23(30)21-2-1-13-33-21/h1-8,13-14H,9-12,15H2,(H,25,29)
InChIKeyIFFWJIKHHKTZRP-UHFFFAOYSA-N
MW484.90 g/mol
LogP3.82
Rot. Bonds7

About N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide

N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 17118163) has the molecular formula C23H21ClN4O6 and a molecular weight of 484.90 g/mol. Its IUPAC name is N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide
PubChem CID17118163
Molecular FormulaC23H21ClN4O6
Molecular Weight484.90 g/mol
Exact Mass484.11
IUPAC NameN-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1
InChIInChI=1S/C23H21ClN4O6/c24-19-14-16(25-22(29)15-34-18-6-4-17(5-7-18)28(31)32)3-8-20(19)26-9-11-27(12-10-26)23(30)21-2-1-13-33-21/h1-8,13-14H,9-12,15H2,(H,25,29)
InChIKeyIFFWJIKHHKTZRP-UHFFFAOYSA-N
XLogP3.82
TPSA118.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.90
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)-N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 17319395
N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide
CID 3343520
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2,4-dimethylphenoxy)acetamide
CID 17111893
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 3161475
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 1363218
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-methylphenoxy)acetamide
CID 3161566
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methylphenoxy)acetamide
CID 17111823
N-[[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17318021
3,4-dichloro-N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 17118164
N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide
CID 2214575
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 17118200
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 2995302

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide (CID 17118163) is N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is IFFWJIKHHKTZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O6/c24-19-14-16(25-22(29)15-34-18-6-4-17(5-7-18)28(31)32)3-8-20(19)26-9-11-27(12-10-26)23(30)21-2-1-13-33-21/h1-8,13-14H,9-12,15H2,(H,25,29).
What are the key properties of N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide?
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 484.90 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 17118163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).