1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide

C20H20Cl2FN3O2 — CID 16909954

IUPAC1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2cccc(F)c2)CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H20Cl2FN3O2/c21-17-5-4-16(11-18(17)22)24-19(27)12-26-8-6-13(7-9-26)20(28)25-15-3-1-2-14(23)10-15/h1-5,10-11,13H,6-9,12H2,(H,24,27)(H,25,28)
InChIKeyJVVJXKYJQDATSN-UHFFFAOYSA-N
MW424.30 g/mol
LogP4.42
Rot. Bonds5

About 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide

1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide (PubChem CID 16909954) has the molecular formula C20H20Cl2FN3O2 and a molecular weight of 424.30 g/mol. Its IUPAC name is 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
PubChem CID16909954
Molecular FormulaC20H20Cl2FN3O2
Molecular Weight424.30 g/mol
Exact Mass423.09
IUPAC Name1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(CN1CCC(C(=O)Nc2cccc(F)c2)CC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H20Cl2FN3O2/c21-17-5-4-16(11-18(17)22)24-19(27)12-26-8-6-13(7-9-26)20(28)25-15-3-1-2-14(23)10-15/h1-5,10-11,13H,6-9,12H2,(H,24,27)(H,25,28)
InChIKeyJVVJXKYJQDATSN-UHFFFAOYSA-N
XLogP4.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.30
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 16909974
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 113008225
N-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909920
1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 45019171
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 16909938
2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 29351787
N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909933
N-(3-chloro-4-methylphenyl)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909395
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 16909918
1-N-(3,4-dichlorophenyl)-2-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144008

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide (CID 16909954) is 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide is O=C(CN1CCC(C(=O)Nc2cccc(F)c2)CC1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is JVVJXKYJQDATSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2FN3O2/c21-17-5-4-16(11-18(17)22)24-19(27)12-26-8-6-13(7-9-26)20(28)25-15-3-1-2-14(23)10-15/h1-5,10-11,13H,6-9,12H2,(H,24,27)(H,25,28).
What are the key properties of 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide?
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 424.30 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 16909954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).