2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide

C20H22ClN3O2 — CID 54810249

IUPAC2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
SMILESO=C(CNc1ccccc1Cl)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C20H22ClN3O2/c21-17-9-2-3-10-18(17)22-14-19(25)23-16-8-6-7-15(13-16)20(26)24-11-4-1-5-12-24/h2-3,6-10,13,22H,1,4-5,11-12,14H2,(H,23,25)
InChIKeyOYPHYMZZXZKXRY-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.02
Rot. Bonds5

About 2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide

2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide (PubChem CID 54810249) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
PubChem CID54810249
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
SMILESO=C(CNc1ccccc1Cl)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C20H22ClN3O2/c21-17-9-2-3-10-18(17)22-14-19(25)23-16-8-6-7-15(13-16)20(26)24-11-4-1-5-12-24/h2-3,6-10,13,22H,1,4-5,11-12,14H2,(H,23,25)
InChIKeyOYPHYMZZXZKXRY-UHFFFAOYSA-N
XLogP4.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54819586
N-(3-chloro-2-methylphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085061
2-[3-(azepane-1-carbonyl)anilino]-N-(4-chlorophenyl)acetamide
CID 54841635
3-[[2-(2-chloroanilino)acetyl]amino]benzamide
CID 54810533
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54818358
N-[3-(azepane-1-carbonyl)phenyl]-2-(4-bromoanilino)acetamide
CID 54810997
N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54841067
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
2-(methylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119740126
2-(2,4-dichloroanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54810917
N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839676

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide (CID 54810249) is 2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide is O=C(CNc1ccccc1Cl)Nc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of 2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is OYPHYMZZXZKXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-17-9-2-3-10-18(17)22-14-19(25)23-16-8-6-7-15(13-16)20(26)24-11-4-1-5-12-24/h2-3,6-10,13,22H,1,4-5,11-12,14H2,(H,23,25).
What are the key properties of 2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide?
2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 371.87 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54810249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).