2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide

C21H20ClN3O3 — CID 31151441

IUPAC2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1)Nc1ccccc1
InChIInChI=1S/C21H20ClN3O3/c22-16-6-7-18-15(12-16)13-19(28-18)21(27)25-10-8-24(9-11-25)14-20(26)23-17-4-2-1-3-5-17/h1-7,12-13H,8-11,14H2,(H,23,26)
InChIKeyCITFNPKAIBFKBM-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.48
Rot. Bonds4

About 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide

2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 31151441) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID31151441
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1)Nc1ccccc1
InChIInChI=1S/C21H20ClN3O3/c22-16-6-7-18-15(12-16)13-19(28-18)21(27)25-10-8-24(9-11-25)14-20(26)23-17-4-2-1-3-5-17/h1-7,12-13H,8-11,14H2,(H,23,26)
InChIKeyCITFNPKAIBFKBM-UHFFFAOYSA-N
XLogP3.48
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 31427597
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 34432845
(5-chloro-1-benzofuran-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71944079
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
(5-chloro-1-benzofuran-2-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606878
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
(5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9182011
2-[4-(4-chloro-2-nitrobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149102
(5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 86853618
2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide (CID 31151441) is 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is CITFNPKAIBFKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c22-16-6-7-18-15(12-16)13-19(28-18)21(27)25-10-8-24(9-11-25)14-20(26)23-17-4-2-1-3-5-17/h1-7,12-13H,8-11,14H2,(H,23,26).
What are the key properties of 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide?
2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 397.86 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 31151441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).