2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide

C26H25ClN4O3 — CID 46551898

IUPAC2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide
SMILESO=C(CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C26H25ClN4O3/c27-20-12-10-19(11-13-20)26(34)31-16-14-30(15-17-31)18-24(32)29-23-9-5-4-8-22(23)25(33)28-21-6-2-1-3-7-21/h1-13H,14-18H2,(H,28,33)(H,29,32)
InChIKeyQJTPTZBLCANZJO-UHFFFAOYSA-N
MW476.96 g/mol
LogP3.99
Rot. Bonds6

About 2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide

2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide (PubChem CID 46551898) has the molecular formula C26H25ClN4O3 and a molecular weight of 476.96 g/mol. Its IUPAC name is 2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide
PubChem CID46551898
Molecular FormulaC26H25ClN4O3
Molecular Weight476.96 g/mol
Exact Mass476.16
IUPAC Name2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide
SMILESO=C(CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C26H25ClN4O3/c27-20-12-10-19(11-13-20)26(34)31-16-14-30(15-17-31)18-24(32)29-23-9-5-4-8-22(23)25(33)28-21-6-2-1-3-7-21/h1-13H,14-18H2,(H,28,33)(H,29,32)
InChIKeyQJTPTZBLCANZJO-UHFFFAOYSA-N
XLogP3.99
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.96
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 36876914
2-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]acetyl]amino]-N-phenylbenzamide
CID 55989512
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 55553446
N-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 24683894
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 36877900
N-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35207173
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
2-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]-N-phenylbenzamide
CID 31480918
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 34432845
N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 35125248
2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide
CID 31375804
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-phenylbenzamide
CID 2535366

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide (CID 46551898) is 2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide is O=C(CN1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide?
The InChIKey is QJTPTZBLCANZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O3/c27-20-12-10-19(11-13-20)26(34)31-16-14-30(15-17-31)18-24(32)29-23-9-5-4-8-22(23)25(33)28-21-6-2-1-3-7-21/h1-13H,14-18H2,(H,28,33)(H,29,32).
What are the key properties of 2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide?
2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide has a molecular weight of 476.96 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 46551898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).