N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide

C26H25Cl2N3O3 — CID 17117895

IUPACN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1Cl
InChIInChI=1S/C26H25Cl2N3O3/c1-18-16-21(10-11-22(18)28)34-17-25(32)29-23-4-2-3-5-24(23)30-12-14-31(15-13-30)26(33)19-6-8-20(27)9-7-19/h2-11,16H,12-15,17H2,1H3,(H,29,32)
InChIKeyJYHFYTXMVMFSMN-UHFFFAOYSA-N
MW498.41 g/mol
LogP5.28
Rot. Bonds6

About N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide

N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide (PubChem CID 17117895) has the molecular formula C26H25Cl2N3O3 and a molecular weight of 498.41 g/mol. Its IUPAC name is N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
PubChem CID17117895
Molecular FormulaC26H25Cl2N3O3
Molecular Weight498.41 g/mol
Exact Mass497.13
IUPAC NameN-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1Cl
InChIInChI=1S/C26H25Cl2N3O3/c1-18-16-21(10-11-22(18)28)34-17-25(32)29-23-4-2-3-5-24(23)30-12-14-31(15-13-30)26(33)19-6-8-20(27)9-7-19/h2-11,16H,12-15,17H2,1H3,(H,29,32)
InChIKeyJYHFYTXMVMFSMN-UHFFFAOYSA-N
XLogP5.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.41
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide
CID 17117908
2-(3,4-dimethylphenoxy)-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 1091619
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide
CID 2949164
2-(4-chlorophenoxy)-N-[2-[4-(1-phenylethenyl)piperazin-1-yl]phenyl]acetamide;molecular hydrogen
CID 167599960
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939291
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 1078563
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1258048
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methylphenoxy)acetamide
CID 17111823
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,2-dimethylpropanamide
CID 1307505
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2,4-dimethoxybenzamide
CID 17335991
N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 3758937
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-ethylbenzamide
CID 2199021

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide?
The IUPAC name of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide (CID 17117895) is N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide?
The canonical SMILES for N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide is Cc1cc(OCC(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1Cl.
What is the InChIKey of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide?
The InChIKey is JYHFYTXMVMFSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N3O3/c1-18-16-21(10-11-22(18)28)34-17-25(32)29-23-4-2-3-5-24(23)30-12-14-31(15-13-30)26(33)19-6-8-20(27)9-7-19/h2-11,16H,12-15,17H2,1H3,(H,29,32).
What are the key properties of N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide?
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide has a molecular weight of 498.41 g/mol, XLogP of 5.28, 6 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-(4-chloro-3-methylphenoxy)acetamide is sourced from PubChem (CID 17117895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).