N-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

C19H19Cl2FN2O — CID 43926086

IUPACN-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H19Cl2FN2O/c20-15-5-8-18(17(21)10-15)23-19(25)14-2-1-9-24(12-14)11-13-3-6-16(22)7-4-13/h3-8,10,14H,1-2,9,11-12H2,(H,23,25)
InChIKeyZQVQIVPCHIUSDX-UHFFFAOYSA-N
MW381.28 g/mol
LogP4.98
Rot. Bonds4

About N-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

N-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43926086) has the molecular formula C19H19Cl2FN2O and a molecular weight of 381.28 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43926086
Molecular FormulaC19H19Cl2FN2O
Molecular Weight381.28 g/mol
Exact Mass380.09
IUPAC NameN-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H19Cl2FN2O/c20-15-5-8-18(17(21)10-15)23-19(25)14-2-1-9-24(12-14)11-13-3-6-16(22)7-4-13/h3-8,10,14H,1-2,9,11-12H2,(H,23,25)
InChIKeyZQVQIVPCHIUSDX-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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Related Compounds

N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43923132
N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921606
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
(3S)-N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 93490504
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921645
N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43923085
1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 43926100
1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide
CID 133159221
1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 43921370
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921563
(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 93490919

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (CID 43926086) is N-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)C1CCCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is ZQVQIVPCHIUSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O/c20-15-5-8-18(17(21)10-15)23-19(25)14-2-1-9-24(12-14)11-13-3-6-16(22)7-4-13/h3-8,10,14H,1-2,9,11-12H2,(H,23,25).
What are the key properties of N-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
N-(2,4-dichlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-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-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43926086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).