1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide

C19H20ClFN2O — CID 43921370

IUPAC1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C19H20ClFN2O/c20-16-7-3-5-14(11-16)12-23-10-4-6-15(13-23)19(24)22-18-9-2-1-8-17(18)21/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,22,24)
InChIKeyAUCXWOZQTMPOEY-UHFFFAOYSA-N
MW346.83 g/mol
LogP4.33
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide

1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide (PubChem CID 43921370) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
PubChem CID43921370
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCCN(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C19H20ClFN2O/c20-16-7-3-5-14(11-16)12-23-10-4-6-15(13-23)19(24)22-18-9-2-1-8-17(18)21/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,22,24)
InChIKeyAUCXWOZQTMPOEY-UHFFFAOYSA-N
XLogP4.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921367
N-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43921368
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
(3S)-N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 93490504
1-benzyl-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919369
N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119422659
1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919379
1-benzyl-N-(4-bromo-2-fluorophenyl)piperidine-3-carboxamide
CID 43925035
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283
1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide
CID 133159221
1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43924979

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide (CID 43921370) is 1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide is O=C(Nc1ccccc1F)C1CCCN(Cc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is AUCXWOZQTMPOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c20-16-7-3-5-14(11-16)12-23-10-4-6-15(13-23)19(24)22-18-9-2-1-8-17(18)21/h1-3,5,7-9,11,15H,4,6,10,12-13H2,(H,22,24).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide?
1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 346.83 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-(2-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43921370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).