2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide

C23H28ClN3O2 — CID 55898218

IUPAC2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CNc2cc(Cl)ccc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H28ClN3O2/c1-16(2)17-6-9-19(10-7-17)26-22(28)15-25-21-14-18(24)8-11-20(21)23(29)27-12-4-3-5-13-27/h6-11,14,16,25H,3-5,12-13,15H2,1-2H3,(H,26,28)
InChIKeyBCYKCMCMDZEISH-UHFFFAOYSA-N
MW413.95 g/mol
LogP5.14
Rot. Bonds6

About 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide

2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 55898218) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID55898218
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CNc2cc(Cl)ccc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H28ClN3O2/c1-16(2)17-6-9-19(10-7-17)26-22(28)15-25-21-14-18(24)8-11-20(21)23(29)27-12-4-3-5-13-27/h6-11,14,16,25H,3-5,12-13,15H2,1-2H3,(H,26,28)
InChIKeyBCYKCMCMDZEISH-UHFFFAOYSA-N
XLogP5.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.95
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 55766563
4-[[2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 55896896
N-(3-chloro-4-methoxyphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 60536287
2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 60537314
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,3-dichlorophenyl)acetamide
CID 55896895
2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007918
N-(5-chloro-2-methylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841442
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 60536259
2-(4-chlorophenyl)sulfanyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 112760310
N-(2,5-dichlorophenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841411
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 119283029
2-(4-chloroanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54810281

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide (CID 55898218) is 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CNc2cc(Cl)ccc2C(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is BCYKCMCMDZEISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-16(2)17-6-9-19(10-7-17)26-22(28)15-25-21-14-18(24)8-11-20(21)23(29)27-12-4-3-5-13-27/h6-11,14,16,25H,3-5,12-13,15H2,1-2H3,(H,26,28).
What are the key properties of 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide?
2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 413.95 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 55898218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).