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

C19H18Cl2F2N2O — CID 43925020

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C19H18Cl2F2N2O/c20-14-4-3-12(16(21)8-14)10-25-7-1-2-13(11-25)19(26)24-15-5-6-17(22)18(23)9-15/h3-6,8-9,13H,1-2,7,10-11H2,(H,24,26)
InChIKeyAPANBBBTZBZUMX-UHFFFAOYSA-N
MW399.27 g/mol
LogP5.12
Rot. Bonds4

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

1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide (PubChem CID 43925020) has the molecular formula C19H18Cl2F2N2O and a molecular weight of 399.27 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
PubChem CID43925020
Molecular FormulaC19H18Cl2F2N2O
Molecular Weight399.27 g/mol
Exact Mass398.08
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C19H18Cl2F2N2O/c20-14-4-3-12(16(21)8-14)10-25-7-1-2-13(11-25)19(26)24-15-5-6-17(22)18(23)9-15/h3-6,8-9,13H,1-2,7,10-11H2,(H,24,26)
InChIKeyAPANBBBTZBZUMX-UHFFFAOYSA-N
XLogP5.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.27
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43924876
1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 43920361
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 93490972
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 93490424
methyl 2-chloro-5-[[1-[(2,4-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43925089
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 93490651
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921563
1-[(2,4-dichlorophenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 43926100
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperidine-3-carboxamide
CID 93491876
N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43923085
ethyl 4-[[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 93490741
N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43921942

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide (CID 43925020) is 1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide?
The InChIKey is APANBBBTZBZUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2F2N2O/c20-14-4-3-12(16(21)8-14)10-25-7-1-2-13(11-25)19(26)24-15-5-6-17(22)18(23)9-15/h3-6,8-9,13H,1-2,7,10-11H2,(H,24,26).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide has a molecular weight of 399.27 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43925020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).