2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide

C27H28ClN3O3 — CID 42768636

IUPAC2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide
SMILESCOc1ccc(CC(=O)N2CCN(c3ccc(NC(=O)C(Cl)c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C27H28ClN3O3/c1-34-24-13-7-20(8-14-24)19-25(32)31-17-15-30(16-18-31)23-11-9-22(10-12-23)29-27(33)26(28)21-5-3-2-4-6-21/h2-14,26H,15-19H2,1H3,(H,29,33)
InChIKeyRBFFOQHNCVITBX-UHFFFAOYSA-N
MW477.99 g/mol
LogP4.51
Rot. Bonds7

About 2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide

2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide (PubChem CID 42768636) has the molecular formula C27H28ClN3O3 and a molecular weight of 477.99 g/mol. Its IUPAC name is 2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide
PubChem CID42768636
Molecular FormulaC27H28ClN3O3
Molecular Weight477.99 g/mol
Exact Mass477.18
IUPAC Name2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide
SMILESCOc1ccc(CC(=O)N2CCN(c3ccc(NC(=O)C(Cl)c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C27H28ClN3O3/c1-34-24-13-7-20(8-14-24)19-25(32)31-17-15-30(16-18-31)23-11-9-22(10-12-23)29-27(33)26(28)21-5-3-2-4-6-21/h2-14,26H,15-19H2,1H3,(H,29,33)
InChIKeyRBFFOQHNCVITBX-UHFFFAOYSA-N
XLogP4.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.99
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 1056337
(2R)-2-chloro-N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide
CID 1055885
N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide
CID 4558492
N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 17459284
2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078995
ethyl 4-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]anilino]-4-oxobutanoate
CID 42768638
benzyl 4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]piperazine-1-carboxylate
CID 59419487
1-(2,4-difluorophenyl)-3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]urea
CID 42768647
1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone
CID 99185253
2-(2-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 6466814
N-[4-[4-[2-amino-2-(2-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 58258441
2-(4-methoxyphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 2839448

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide (CID 42768636) is 2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide is COc1ccc(CC(=O)N2CCN(c3ccc(NC(=O)C(Cl)c4ccccc4)cc3)CC2)cc1.
What is the InChIKey of 2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide?
The InChIKey is RBFFOQHNCVITBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O3/c1-34-24-13-7-20(8-14-24)19-25(32)31-17-15-30(16-18-31)23-11-9-22(10-12-23)29-27(33)26(28)21-5-3-2-4-6-21/h2-14,26H,15-19H2,1H3,(H,29,33).
What are the key properties of 2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide?
2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide has a molecular weight of 477.99 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 42768636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).