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

C22H20ClN3O3 — CID 1456391

IUPAC3-chloro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1N1CCN(C(=O)c2ccco2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C22H20ClN3O3/c23-17-6-3-5-16(15-17)21(27)24-18-7-1-2-8-19(18)25-10-12-26(13-11-25)22(28)20-9-4-14-29-20/h1-9,14-15H,10-13H2,(H,24,27)
InChIKeyBCVONEUNAPOUPT-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.15
Rot. Bonds4

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

3-chloro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide (PubChem CID 1456391) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
PubChem CID1456391
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC Name3-chloro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1N1CCN(C(=O)c2ccco2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C22H20ClN3O3/c23-17-6-3-5-16(15-17)21(27)24-18-7-1-2-8-19(18)25-10-12-26(13-11-25)22(28)20-9-4-14-29-20/h1-9,14-15H,10-13H2,(H,24,27)
InChIKeyBCVONEUNAPOUPT-UHFFFAOYSA-N
XLogP4.15
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 1088826
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 2237334
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
3,4-dichloro-N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 17118164
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17117874
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 3161475
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 113080480
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17118198
N-[[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-3-fluorobenzamide
CID 17116278
3-fluoro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 649966
3,5-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557750
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide (CID 1456391) is 3-chloro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide is O=C(Nc1ccccc1N1CCN(C(=O)c2ccco2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide?
The InChIKey is BCVONEUNAPOUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c23-17-6-3-5-16(15-17)21(27)24-18-7-1-2-8-19(18)25-10-12-26(13-11-25)22(28)20-9-4-14-29-20/h1-9,14-15H,10-13H2,(H,24,27).
What are the key properties of 3-chloro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide?
3-chloro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide has a molecular weight of 409.87 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 1456391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).