1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide

C19H20ClFN2O — CID 99826811

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C19H20ClFN2O/c20-16-7-6-15(18(21)12-16)13-23-10-8-14(9-11-23)19(24)22-17-4-2-1-3-5-17/h1-7,12,14H,8-11,13H2,(H,22,24)
InChIKeyIEWPNMLZOSNRHR-UHFFFAOYSA-N
MW346.83 g/mol
LogP4.33
Rot. Bonds4

About 1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide

1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 99826811) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
PubChem CID99826811
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C19H20ClFN2O/c20-16-7-6-15(18(21)12-16)13-23-10-8-14(9-11-23)19(24)22-17-4-2-1-3-5-17/h1-7,12,14H,8-11,13H2,(H,22,24)
InChIKeyIEWPNMLZOSNRHR-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

1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 100683953
1-[(4-chloro-2-fluorophenyl)methyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 100684708
N-(4-bromo-3-chlorophenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100685849
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100686065
N-(4-bromo-3-methylphenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100684851
1-[(4-chloro-2-fluorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 100685326
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923094
1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 100684880
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]piperidine-4-carboxamide
CID 100686841
1-[(4-chloro-2-fluorophenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 100685415
N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43924255

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide (CID 99826811) is 1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(Cc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is IEWPNMLZOSNRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c20-16-7-6-15(18(21)12-16)13-23-10-8-14(9-11-23)19(24)22-17-4-2-1-3-5-17/h1-7,12,14H,8-11,13H2,(H,22,24).
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide?
1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-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-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 99826811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).