2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide

C26H26ClN3O2 — CID 46551877

IUPAC2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1-c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H26ClN3O2/c1-19(25(31)28-24-10-6-5-9-23(24)20-7-3-2-4-8-20)29-15-17-30(18-16-29)26(32)21-11-13-22(27)14-12-21/h2-14,19H,15-18H2,1H3,(H,28,31)
InChIKeyODLPAFSEKCVUCI-UHFFFAOYSA-N
MW447.97 g/mol
LogP4.79
Rot. Bonds5

About 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide

2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide (PubChem CID 46551877) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
PubChem CID46551877
Molecular FormulaC26H26ClN3O2
Molecular Weight447.97 g/mol
Exact Mass447.17
IUPAC Name2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1-c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H26ClN3O2/c1-19(25(31)28-24-10-6-5-9-23(24)20-7-3-2-4-8-20)29-15-17-30(18-16-29)26(32)21-11-13-22(27)14-12-21/h2-14,19H,15-18H2,1H3,(H,28,31)
InChIKeyODLPAFSEKCVUCI-UHFFFAOYSA-N
XLogP4.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 18078428
2-(4-benzoylpiperazin-1-yl)-N-(4-chlorophenyl)propanamide
CID 18082984
2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 18094231
2-(4-benzoylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)propanamide
CID 18094234
(2S)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 30626970
oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 171668760
(2R)-2-morpholin-4-yl-N-(2-phenylphenyl)propanamide
CID 1429478
2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide
CID 46801865
N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide
CID 42962435
2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 18085911
(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 25372783
2-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 24674627

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide (CID 46551877) is 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide is CC(C(=O)Nc1ccccc1-c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide?
The InChIKey is ODLPAFSEKCVUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2/c1-19(25(31)28-24-10-6-5-9-23(24)20-7-3-2-4-8-20)29-15-17-30(18-16-29)26(32)21-11-13-22(27)14-12-21/h2-14,19H,15-18H2,1H3,(H,28,31).
What are the key properties of 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide?
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide has a molecular weight of 447.97 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 46551877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).