N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide

C28H24ClN3O3 — CID 17117874

IUPACN-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C28H24ClN3O3/c29-22-10-6-9-21(19-22)25-13-14-26(35-25)27(33)30-23-11-4-5-12-24(23)31-15-17-32(18-16-31)28(34)20-7-2-1-3-8-20/h1-14,19H,15-18H2,(H,30,33)
InChIKeyMLDJYYKDAULOHI-UHFFFAOYSA-N
MW485.97 g/mol
LogP5.81
Rot. Bonds5

About N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide

N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide (PubChem CID 17117874) has the molecular formula C28H24ClN3O3 and a molecular weight of 485.97 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
PubChem CID17117874
Molecular FormulaC28H24ClN3O3
Molecular Weight485.97 g/mol
Exact Mass485.15
IUPAC NameN-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C28H24ClN3O3/c29-22-10-6-9-21(19-22)25-13-14-26(35-25)27(33)30-23-11-4-5-12-24(23)31-15-17-32(18-16-31)28(34)20-7-2-1-3-8-20/h1-14,19H,15-18H2,(H,30,33)
InChIKeyMLDJYYKDAULOHI-UHFFFAOYSA-N
XLogP5.81
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.97
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 17319178
N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17317476
5-(3-chlorophenyl)-N-(2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 3656622
5-(3-chlorophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 22780800
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromofuran-2-carboxamide
CID 1288270
N-[[2-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17317422
methyl 4-(4-benzoylpiperazin-1-yl)-3-[[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]amino]benzoate
CID 17092162
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17091564
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17111808
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17118198
5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 2237354
3-chloro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 1456391

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide (CID 17117874) is N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide is O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide?
The InChIKey is MLDJYYKDAULOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O3/c29-22-10-6-9-21(19-22)25-13-14-26(35-25)27(33)30-23-11-4-5-12-24(23)31-15-17-32(18-16-31)28(34)20-7-2-1-3-8-20/h1-14,19H,15-18H2,(H,30,33).
What are the key properties of N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide?
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide has a molecular weight of 485.97 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 17117874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).