2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

C21H23Cl2N3O2 — CID 54813365

IUPAC2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCC1CCN(C(=O)c2cccc(NC(=O)CNc3cc(Cl)cc(Cl)c3)c2)CC1
InChIInChI=1S/C21H23Cl2N3O2/c1-14-5-7-26(8-6-14)21(28)15-3-2-4-18(9-15)25-20(27)13-24-19-11-16(22)10-17(23)12-19/h2-4,9-12,14,24H,5-8,13H2,1H3,(H,25,27)
InChIKeyYVNKUZABWOOZPQ-UHFFFAOYSA-N
MW420.34 g/mol
LogP4.92
Rot. Bonds5

About 2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 54813365) has the molecular formula C21H23Cl2N3O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
PubChem CID54813365
Molecular FormulaC21H23Cl2N3O2
Molecular Weight420.34 g/mol
Exact Mass419.12
IUPAC Name2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCC1CCN(C(=O)c2cccc(NC(=O)CNc3cc(Cl)cc(Cl)c3)c2)CC1
InChIInChI=1S/C21H23Cl2N3O2/c1-14-5-7-26(8-6-14)21(28)15-3-2-4-18(9-15)25-20(27)13-24-19-11-16(22)10-17(23)12-19/h2-4,9-12,14,24H,5-8,13H2,1H3,(H,25,27)
InChIKeyYVNKUZABWOOZPQ-UHFFFAOYSA-N
XLogP4.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
2-(4-fluoroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813298
N-(4-acetamidophenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843300
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357
2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-naphthalen-2-ylacetamide
CID 54843036
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
2-(2-bromoanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54816568
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463
N-tert-butyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834474
2-(2-ethyl-6-methylanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54819279
N-(4-methoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843609
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(2-propan-2-ylanilino)acetamide
CID 54823206

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (CID 54813365) is 2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is CC1CCN(C(=O)c2cccc(NC(=O)CNc3cc(Cl)cc(Cl)c3)c2)CC1.
What is the InChIKey of 2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is YVNKUZABWOOZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O2/c1-14-5-7-26(8-6-14)21(28)15-3-2-4-18(9-15)25-20(27)13-24-19-11-16(22)10-17(23)12-19/h2-4,9-12,14,24H,5-8,13H2,1H3,(H,25,27).
What are the key properties of 2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 420.34 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54813365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).