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

C19H18Cl3FN2O — CID 43923094

IUPACN-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H18Cl3FN2O/c20-14-2-1-13(16(21)9-14)11-25-7-5-12(6-8-25)19(26)24-15-3-4-18(23)17(22)10-15/h1-4,9-10,12H,5-8,11H2,(H,24,26)
InChIKeyWNRXIISFRLIWJD-UHFFFAOYSA-N
MW415.72 g/mol
LogP5.64
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 43923094) has the molecular formula C19H18Cl3FN2O and a molecular weight of 415.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID43923094
Molecular FormulaC19H18Cl3FN2O
Molecular Weight415.72 g/mol
Exact Mass414.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H18Cl3FN2O/c20-14-2-1-13(16(21)9-14)11-25-7-5-12(6-8-25)19(26)24-15-3-4-18(23)17(22)10-15/h1-4,9-10,12H,5-8,11H2,(H,24,26)
InChIKeyWNRXIISFRLIWJD-UHFFFAOYSA-N
XLogP5.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.72
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43924255
1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919622
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
1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919697
N-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284665
N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920409
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921571
N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 71938113
1-[(2,4-dichlorophenyl)methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 53284614
1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 43925020
N-(3-chloro-4-fluorophenyl)-1-(3-hydroxypropyl)piperidine-4-carboxamide
CID 111148135

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide (CID 43923094) is N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is WNRXIISFRLIWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3FN2O/c20-14-2-1-13(16(21)9-14)11-25-7-5-12(6-8-25)19(26)24-15-3-4-18(23)17(22)10-15/h1-4,9-10,12H,5-8,11H2,(H,24,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 415.72 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43923094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).