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

C25H24ClN3O3 — CID 2949376

IUPACN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H24ClN3O3/c1-32-23-9-5-2-6-20(23)24(30)27-21-7-3-4-8-22(21)28-14-16-29(17-15-28)25(31)18-10-12-19(26)13-11-18/h2-13H,14-17H2,1H3,(H,27,30)
InChIKeyVYNPOQSODVQHKP-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.56
Rot. Bonds5

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

N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-methoxybenzamide (PubChem CID 2949376) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-methoxybenzamide
PubChem CID2949376
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC NameN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H24ClN3O3/c1-32-23-9-5-2-6-20(23)24(30)27-21-7-3-4-8-22(21)28-14-16-29(17-15-28)25(31)18-10-12-19(26)13-11-18/h2-13H,14-17H2,1H3,(H,27,30)
InChIKeyVYNPOQSODVQHKP-UHFFFAOYSA-N
XLogP4.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-methoxybenzamide (CID 2949376) is N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-methoxybenzamide?
The InChIKey is VYNPOQSODVQHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c1-32-23-9-5-2-6-20(23)24(30)27-21-7-3-4-8-22(21)28-14-16-29(17-15-28)25(31)18-10-12-19(26)13-11-18/h2-13H,14-17H2,1H3,(H,27,30).
What are the key properties of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-methoxybenzamide?
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-methoxybenzamide has a molecular weight of 449.94 g/mol, XLogP of 4.56, 5 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]-2-methoxybenzamide is sourced from PubChem (CID 2949376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).