2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide

C20H22ClN3O3 — CID 174606877

IUPAC2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide
SMILESO=C(NO)C(c1ccccc1)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O3/c21-17-8-6-15(7-9-17)14-18(25)23-10-12-24(13-11-23)19(20(26)22-27)16-4-2-1-3-5-16/h1-9,19,27H,10-14H2,(H,22,26)
InChIKeyZFVPQKOZQOHDNX-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.27
Rot. Bonds5

About 2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide

2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide (PubChem CID 174606877) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide
PubChem CID174606877
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide
SMILESO=C(NO)C(c1ccccc1)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O3/c21-17-8-6-15(7-9-17)14-18(25)23-10-12-24(13-11-23)19(20(26)22-27)16-4-2-1-3-5-16/h1-9,19,27H,10-14H2,(H,22,26)
InChIKeyZFVPQKOZQOHDNX-UHFFFAOYSA-N
XLogP2.27
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide
CID 163876395
3-amino-1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119949792
3-amino-1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119949791
N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide
CID 166184100
1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 46100709
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 78882190
(2S)-2-amino-1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119287937
2-(4-chlorophenyl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 113074065
1-[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylethanone
CID 92768650
(E)-3-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122513951
N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide
CID 110810778
1-(4-benzhydrylpiperazin-1-yl)-2-(4-chloroanilino)ethanone
CID 23649221

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide?
The IUPAC name of 2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide (CID 174606877) is 2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide.
What is the SMILES notation for 2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide?
The canonical SMILES for 2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide is O=C(NO)C(c1ccccc1)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide?
The InChIKey is ZFVPQKOZQOHDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c21-17-8-6-15(7-9-17)14-18(25)23-10-12-24(13-11-23)19(20(26)22-27)16-4-2-1-3-5-16/h1-9,19,27H,10-14H2,(H,22,26).
What are the key properties of 2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide?
2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide has a molecular weight of 387.87 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide is sourced from PubChem (CID 174606877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).