N-(4-bromo-3-chlorophenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide

C19H18BrCl2FN2O — CID 100685849

IUPACN-(4-bromo-3-chlorophenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C19H18BrCl2FN2O/c20-16-4-3-15(10-17(16)22)24-19(26)12-5-7-25(8-6-12)11-13-1-2-14(21)9-18(13)23/h1-4,9-10,12H,5-8,11H2,(H,24,26)
InChIKeyDVKREIJTDUDMQG-UHFFFAOYSA-N
MW460.17 g/mol
LogP5.75
Rot. Bonds4

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

N-(4-bromo-3-chlorophenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 100685849) has the molecular formula C19H18BrCl2FN2O and a molecular weight of 460.17 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID100685849
Molecular FormulaC19H18BrCl2FN2O
Molecular Weight460.17 g/mol
Exact Mass458.00
IUPAC NameN-(4-bromo-3-chlorophenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C19H18BrCl2FN2O/c20-16-4-3-15(10-17(16)22)24-19(26)12-5-7-25(8-6-12)11-13-1-2-14(21)9-18(13)23/h1-4,9-10,12H,5-8,11H2,(H,24,26)
InChIKeyDVKREIJTDUDMQG-UHFFFAOYSA-N
XLogP5.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.17
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-3-chlorophenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-3-methylphenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100684851
1-[(4-chloro-2-fluorophenyl)methyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 100684708
N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923094
1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 99826811
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100686065
N-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43924876
1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 100683953
N-(4-bromo-3-chlorophenyl)-1-[(3-bromophenyl)methyl]piperidine-4-carboxamide
CID 43924887
1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 100684880
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-pentan-3-ylpiperidine-4-carboxamide
CID 100689176

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide (CID 100685849) is N-(4-bromo-3-chlorophenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide is O=C(Nc1ccc(Br)c(Cl)c1)C1CCN(Cc2ccc(Cl)cc2F)CC1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is DVKREIJTDUDMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrCl2FN2O/c20-16-4-3-15(10-17(16)22)24-19(26)12-5-7-25(8-6-12)11-13-1-2-14(21)9-18(13)23/h1-4,9-10,12H,5-8,11H2,(H,24,26).
What are the key properties of N-(4-bromo-3-chlorophenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide?
N-(4-bromo-3-chlorophenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 460.17 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 100685849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).