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

C25H24ClN3O2 — CID 1258048

IUPACN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C25H24ClN3O2/c1-18-6-8-19(9-7-18)24(30)27-22-4-2-3-5-23(22)28-14-16-29(17-15-28)25(31)20-10-12-21(26)13-11-20/h2-13H,14-17H2,1H3,(H,27,30)
InChIKeyLQBBWIXJZHDAAW-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.86
Rot. Bonds4

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

N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide (PubChem CID 1258048) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
PubChem CID1258048
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC NameN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C25H24ClN3O2/c1-18-6-8-19(9-7-18)24(30)27-22-4-2-3-5-23(22)28-14-16-29(17-15-28)25(31)20-10-12-21(26)13-11-20/h2-13H,14-17H2,1H3,(H,27,30)
InChIKeyLQBBWIXJZHDAAW-UHFFFAOYSA-N
XLogP4.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-ethylbenzamide
CID 2199021
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide
CID 2949164
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide
CID 1307505
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]furan-2-carboxamide
CID 2237334
N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 3758937
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17117888
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethoxybenzamide
CID 17335991
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 23857873
N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethoxybenzamide
CID 17317457
N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-4-methylbenzamide
CID 3993483
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 113076731

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide (CID 1258048) is N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide?
The InChIKey is LQBBWIXJZHDAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-18-6-8-19(9-7-18)24(30)27-22-4-2-3-5-23(22)28-14-16-29(17-15-28)25(31)20-10-12-21(26)13-11-20/h2-13H,14-17H2,1H3,(H,27,30).
What are the key properties of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide?
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide has a molecular weight of 433.94 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 1258048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).