4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide

C23H26ClN3O3 — CID 26905508

IUPAC4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C23H26ClN3O3/c24-18-12-10-17(11-13-18)22(29)25-14-6-9-21(28)26-20-8-3-2-7-19(20)23(30)27-15-4-1-5-16-27/h2-3,7-8,10-13H,1,4-6,9,14-16H2,(H,25,29)(H,26,28)
InChIKeyXIUAIEIWXGXVLE-UHFFFAOYSA-N
MW427.93 g/mol
LogP4.11
Rot. Bonds7

About 4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide

4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide (PubChem CID 26905508) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide
PubChem CID26905508
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C23H26ClN3O3/c24-18-12-10-17(11-13-18)22(29)25-14-6-9-21(28)26-20-8-3-2-7-19(20)23(30)27-15-4-1-5-16-27/h2-3,7-8,10-13H,1,4-6,9,14-16H2,(H,25,29)(H,26,28)
InChIKeyXIUAIEIWXGXVLE-UHFFFAOYSA-N
XLogP4.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide
CID 26905347
4-chloro-N-[3-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]benzamide
CID 55727373
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid
CID 727281
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-[4-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 55727316
N-[2-(piperidine-1-carbonyl)phenyl]hexanamide
CID 4953779
4-chloro-N-[4-oxo-4-[2-(2-oxopyrrolidin-1-yl)anilino]butyl]benzamide
CID 26955432
N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
N-[2-(azepane-1-carbonyl)phenyl]octanamide
CID 4958626
7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride
CID 119684692
3-(2-chlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 17179010

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide?
The IUPAC name of 4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide (CID 26905508) is 4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide is O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of 4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide?
The InChIKey is XIUAIEIWXGXVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c24-18-12-10-17(11-13-18)22(29)25-14-6-9-21(28)26-20-8-3-2-7-19(20)23(30)27-15-4-1-5-16-27/h2-3,7-8,10-13H,1,4-6,9,14-16H2,(H,25,29)(H,26,28).
What are the key properties of 4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide?
4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide has a molecular weight of 427.93 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide is sourced from PubChem (CID 26905508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).