N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide

C20H21Cl2FN2O — CID 10250072

IUPACN-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1(c2ccc(F)cc2)CCNCC1
InChIInChI=1S/C20H21Cl2FN2O/c1-25(13-14-10-16(21)12-17(22)11-14)19(26)20(6-8-24-9-7-20)15-2-4-18(23)5-3-15/h2-5,10-12,24H,6-9,13H2,1H3
InChIKeyWBWWXIMMLFNUJG-UHFFFAOYSA-N
MW395.31 g/mol
LogP4.41
Rot. Bonds4

About N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide

N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide (PubChem CID 10250072) has the molecular formula C20H21Cl2FN2O and a molecular weight of 395.31 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide
PubChem CID10250072
Molecular FormulaC20H21Cl2FN2O
Molecular Weight395.31 g/mol
Exact Mass394.10
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1(c2ccc(F)cc2)CCNCC1
InChIInChI=1S/C20H21Cl2FN2O/c1-25(13-14-10-16(21)12-17(22)11-14)19(26)20(6-8-24-9-7-20)15-2-4-18(23)5-3-15/h2-5,10-12,24H,6-9,13H2,1H3
InChIKeyWBWWXIMMLFNUJG-UHFFFAOYSA-N
XLogP4.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylpiperidine-4-carboxamide
CID 63121984
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 112790191
1-(4-fluorophenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]cyclopropane-1-carboxamide
CID 134002240
N-[(4-fluorophenyl)methyl]-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128063
N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide
CID 11949318
N-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide
CID 63128540
N-[(4-fluorophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63138507
N-[(3,5-dichlorophenyl)methyl]-7-(4-fluorophenyl)-N-methyl-1,4-diazepane-1-carboxamide
CID 10136244
N-[(2,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide
CID 63128461
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 110484027
N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918675
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 134005949

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide (CID 10250072) is N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide is CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C1(c2ccc(F)cc2)CCNCC1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is WBWWXIMMLFNUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2FN2O/c1-25(13-14-10-16(21)12-17(22)11-14)19(26)20(6-8-24-9-7-20)15-2-4-18(23)5-3-15/h2-5,10-12,24H,6-9,13H2,1H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide?
N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 395.31 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-4-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 10250072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).