N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide

C22H20ClN3O3 — CID 2237334

IUPACN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccco1
InChIInChI=1S/C22H20ClN3O3/c23-17-9-7-16(8-10-17)22(28)26-13-11-25(12-14-26)19-5-2-1-4-18(19)24-21(27)20-6-3-15-29-20/h1-10,15H,11-14H2,(H,24,27)
InChIKeyPKEAJRPEOJMDSN-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.15
Rot. Bonds4

About N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide

N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide (PubChem CID 2237334) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
PubChem CID2237334
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC NameN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccco1
InChIInChI=1S/C22H20ClN3O3/c23-17-9-7-16(8-10-17)22(28)26-13-11-25(12-14-26)19-5-2-1-4-18(19)24-21(27)20-6-3-15-29-20/h1-10,15H,11-14H2,(H,24,27)
InChIKeyPKEAJRPEOJMDSN-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-[2-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 1456391
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1258048
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-ethylbenzamide
CID 2199021
N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 6460180
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide
CID 1307505
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide
CID 126498755
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide
CID 2949164
N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 9154613
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 3161475
4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1489362
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17117888
N-[5-[3-(4-chlorophenyl)propanoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 148723104

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide (CID 2237334) is N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide is O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccco1.
What is the InChIKey of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
The InChIKey is PKEAJRPEOJMDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c23-17-9-7-16(8-10-17)22(28)26-13-11-25(12-14-26)19-5-2-1-4-18(19)24-21(27)20-6-3-15-29-20/h1-10,15H,11-14H2,(H,24,27).
What are the key properties of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide 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 N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 2237334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).