2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide

C19H19Cl2N3O2 — CID 31149355

IUPAC2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)Nc1ccccc1
InChIInChI=1S/C19H19Cl2N3O2/c20-15-10-14(11-16(21)12-15)19(26)24-8-6-23(7-9-24)13-18(25)22-17-4-2-1-3-5-17/h1-5,10-12H,6-9,13H2,(H,22,25)
InChIKeyYLBQCSVCDMOXGU-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.39
Rot. Bonds4

About 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide

2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 31149355) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID31149355
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)Nc1ccccc1
InChIInChI=1S/C19H19Cl2N3O2/c20-15-10-14(11-16(21)12-15)19(26)24-8-6-23(7-9-24)13-18(25)22-17-4-2-1-3-5-17/h1-5,10-12H,6-9,13H2,(H,22,25)
InChIKeyYLBQCSVCDMOXGU-UHFFFAOYSA-N
XLogP3.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 34432845
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151705
2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31151577
2-[4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31149940
N-phenyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]acetamide
CID 31150749
2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide
CID 46551898
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 55544316
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156810
N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31349274
2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151441
2-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149102

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide (CID 31149355) is 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is YLBQCSVCDMOXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c20-15-10-14(11-16(21)12-15)19(26)24-8-6-23(7-9-24)13-18(25)22-17-4-2-1-3-5-17/h1-5,10-12H,6-9,13H2,(H,22,25).
What are the key properties of 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide?
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 392.29 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 31149355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).