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

C27H26ClN3O3 — CID 55989512

IUPAC2-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]acetyl]amino]-N-phenylbenzamide
SMILESO=C(CN1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C27H26ClN3O3/c28-21-12-10-19(11-13-21)26(33)20-14-16-31(17-15-20)18-25(32)30-24-9-5-4-8-23(24)27(34)29-22-6-2-1-3-7-22/h1-13,20H,14-18H2,(H,29,34)(H,30,32)
InChIKeyGYBAOQVJXQRHCD-UHFFFAOYSA-N
MW475.98 g/mol
LogP5.13
Rot. Bonds7

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

2-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]acetyl]amino]-N-phenylbenzamide (PubChem CID 55989512) has the molecular formula C27H26ClN3O3 and a molecular weight of 475.98 g/mol. Its IUPAC name is 2-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]acetyl]amino]-N-phenylbenzamide
PubChem CID55989512
Molecular FormulaC27H26ClN3O3
Molecular Weight475.98 g/mol
Exact Mass475.17
IUPAC Name2-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]acetyl]amino]-N-phenylbenzamide
SMILESO=C(CN1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C27H26ClN3O3/c28-21-12-10-19(11-13-21)26(33)20-14-16-31(17-15-20)18-25(32)30-24-9-5-4-8-23(24)27(34)29-22-6-2-1-3-7-22/h1-13,20H,14-18H2,(H,29,34)(H,30,32)
InChIKeyGYBAOQVJXQRHCD-UHFFFAOYSA-N
XLogP5.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.98
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide
CID 46551898
2-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]-N-phenylbenzamide
CID 31480918
N-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 24683894
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60561318
1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide
CID 17422445
2-(4-benzoylpiperidin-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 16605881
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 17486082
1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906608
ethyl 1-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 26629566
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-phenylbenzamide
CID 2535366
1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134253
N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 2552865

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]acetyl]amino]-N-phenylbenzamide (CID 55989512) is 2-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]acetyl]amino]-N-phenylbenzamide is O=C(CN1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]acetyl]amino]-N-phenylbenzamide?
The InChIKey is GYBAOQVJXQRHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O3/c28-21-12-10-19(11-13-21)26(33)20-14-16-31(17-15-20)18-25(32)30-24-9-5-4-8-23(24)27(34)29-22-6-2-1-3-7-22/h1-13,20H,14-18H2,(H,29,34)(H,30,32).
What are the key properties of 2-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]acetyl]amino]-N-phenylbenzamide?
2-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]acetyl]amino]-N-phenylbenzamide has a molecular weight of 475.98 g/mol, XLogP of 5.13, 7 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)piperidin-1-yl]acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 55989512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).