N-(2,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

C19H19Cl2FN2O — CID 27234282

IUPACN-(2,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C19H19Cl2FN2O/c20-15-5-6-18(16(21)11-15)23-19(25)13-7-9-24(10-8-13)12-14-3-1-2-4-17(14)22/h1-6,11,13H,7-10,12H2,(H,23,25)
InChIKeyFMYYNZNXKMZLJN-UHFFFAOYSA-N
MW381.28 g/mol
LogP4.98
Rot. Bonds4

About N-(2,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide

N-(2,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 27234282) has the molecular formula C19H19Cl2FN2O and a molecular weight of 381.28 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID27234282
Molecular FormulaC19H19Cl2FN2O
Molecular Weight381.28 g/mol
Exact Mass380.09
IUPAC NameN-(2,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C19H19Cl2FN2O/c20-15-5-6-18(16(21)11-15)23-19(25)13-7-9-24(10-8-13)12-14-3-1-2-4-17(14)22/h1-6,11,13H,7-10,12H2,(H,23,25)
InChIKeyFMYYNZNXKMZLJN-UHFFFAOYSA-N
XLogP4.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide (CID 27234282) is N-(2,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)C1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is FMYYNZNXKMZLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O/c20-15-5-6-18(16(21)11-15)23-19(25)13-7-9-24(10-8-13)12-14-3-1-2-4-17(14)22/h1-6,11,13H,7-10,12H2,(H,23,25).
What are the key properties of N-(2,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide?
N-(2,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 381.28 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 27234282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).