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

C19H18BrCl3N2O — CID 43924876

IUPACN-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C19H18BrCl3N2O/c20-16-6-5-15(9-18(16)23)24-19(26)13-2-1-7-25(11-13)10-12-3-4-14(21)8-17(12)22/h3-6,8-9,13H,1-2,7,10-11H2,(H,24,26)
InChIKeyODHWJCXJLPWLFA-UHFFFAOYSA-N
MW476.63 g/mol
LogP6.26
Rot. Bonds4

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

N-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43924876) has the molecular formula C19H18BrCl3N2O and a molecular weight of 476.63 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43924876
Molecular FormulaC19H18BrCl3N2O
Molecular Weight476.63 g/mol
Exact Mass473.97
IUPAC NameN-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C19H18BrCl3N2O/c20-16-6-5-15(9-18(16)23)24-19(26)13-2-1-7-25(11-13)10-12-3-4-14(21)8-17(12)22/h3-6,8-9,13H,1-2,7,10-11H2,(H,24,26)
InChIKeyODHWJCXJLPWLFA-UHFFFAOYSA-N
XLogP6.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.63
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924875
1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 43925020
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 93490424
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
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
N-(4-bromo-3-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43922053
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperidine-3-carboxamide
CID 93491876
1-[(2-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925064

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide (CID 43924876) is N-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide is O=C(Nc1ccc(Br)c(Cl)c1)C1CCCN(Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is ODHWJCXJLPWLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrCl3N2O/c20-16-6-5-15(9-18(16)23)24-19(26)13-2-1-7-25(11-13)10-12-3-4-14(21)8-17(12)22/h3-6,8-9,13H,1-2,7,10-11H2,(H,24,26).
What are the key properties of N-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
N-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 476.63 g/mol, XLogP of 6.26, 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-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43924876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).