N-[4-(4-chloroanilino)-4-oxo-1-phenylbutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide

C28H28ClN3O3 — CID 69441854

IUPACN-[4-(4-chloroanilino)-4-oxo-1-phenylbutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESO=C(CC(Cc1ccccc1)NC(=O)c1ccc(N2CCCCC2=O)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C28H28ClN3O3/c29-22-11-13-23(14-12-22)30-26(33)19-24(18-20-6-2-1-3-7-20)31-28(35)21-9-15-25(16-10-21)32-17-5-4-8-27(32)34/h1-3,6-7,9-16,24H,4-5,8,17-19H2,(H,30,33)(H,31,35)
InChIKeyYQJZKBPGUHEGCV-UHFFFAOYSA-N
MW490.00 g/mol
LogP5.23
Rot. Bonds8

About N-[4-(4-chloroanilino)-4-oxo-1-phenylbutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide

N-[4-(4-chloroanilino)-4-oxo-1-phenylbutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide (PubChem CID 69441854) has the molecular formula C28H28ClN3O3 and a molecular weight of 490.00 g/mol. Its IUPAC name is N-[4-(4-chloroanilino)-4-oxo-1-phenylbutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(4-chloroanilino)-4-oxo-1-phenylbutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
PubChem CID69441854
Molecular FormulaC28H28ClN3O3
Molecular Weight490.00 g/mol
Exact Mass489.18
IUPAC NameN-[4-(4-chloroanilino)-4-oxo-1-phenylbutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESO=C(CC(Cc1ccccc1)NC(=O)c1ccc(N2CCCCC2=O)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C28H28ClN3O3/c29-22-11-13-23(14-12-22)30-26(33)19-24(18-20-6-2-1-3-7-20)31-28(35)21-9-15-25(16-10-21)32-17-5-4-8-27(32)34/h1-3,6-7,9-16,24H,4-5,8,17-19H2,(H,30,33)(H,31,35)
InChIKeyYQJZKBPGUHEGCV-UHFFFAOYSA-N
XLogP5.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.00
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-benzyl-3-(4-chloroanilino)-3-oxopropyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 10435661
N-[4-(4-chloroanilino)-1-(2-morpholin-4-ylethoxy)-4-oxobutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 69440917
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
N-[4-(4-chloroanilino)-1-[2-(1,1-dihydroxy-1,4-thiazinan-4-yl)ethoxy]-4-oxobutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 69441451
N-[4-(4-chloroanilino)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]-4-oxobutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 69441450
N-[4-[(5-chloro-2-pyridinyl)amino]-1-morpholin-4-yl-4-oxobutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 10255405
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 26657735
3-[(4-chlorobenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazine-2-carboxamide
CID 174461676
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
4-(2-oxopyrrolidin-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 40515622
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloroanilino)-4-oxo-1-phenylbutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-[4-(4-chloroanilino)-4-oxo-1-phenylbutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide (CID 69441854) is N-[4-(4-chloroanilino)-4-oxo-1-phenylbutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-[4-(4-chloroanilino)-4-oxo-1-phenylbutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-[4-(4-chloroanilino)-4-oxo-1-phenylbutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide is O=C(CC(Cc1ccccc1)NC(=O)c1ccc(N2CCCCC2=O)cc1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chloroanilino)-4-oxo-1-phenylbutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide?
The InChIKey is YQJZKBPGUHEGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O3/c29-22-11-13-23(14-12-22)30-26(33)19-24(18-20-6-2-1-3-7-20)31-28(35)21-9-15-25(16-10-21)32-17-5-4-8-27(32)34/h1-3,6-7,9-16,24H,4-5,8,17-19H2,(H,30,33)(H,31,35).
What are the key properties of N-[4-(4-chloroanilino)-4-oxo-1-phenylbutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide?
N-[4-(4-chloroanilino)-4-oxo-1-phenylbutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide has a molecular weight of 490.00 g/mol, XLogP of 5.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloroanilino)-4-oxo-1-phenylbutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 69441854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).