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

C19H19BrCl2N2O — CID 43924875

IUPACN-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H19BrCl2N2O/c20-17-8-7-16(10-18(17)22)23-19(25)14-2-1-9-24(12-14)11-13-3-5-15(21)6-4-13/h3-8,10,14H,1-2,9,11-12H2,(H,23,25)
InChIKeyQCZQVOQXQLZKHA-UHFFFAOYSA-N
MW442.18 g/mol
LogP5.61
Rot. Bonds4

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

N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43924875) has the molecular formula C19H19BrCl2N2O and a molecular weight of 442.18 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43924875
Molecular FormulaC19H19BrCl2N2O
Molecular Weight442.18 g/mol
Exact Mass440.01
IUPAC NameN-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H19BrCl2N2O/c20-17-8-7-16(10-18(17)22)23-19(25)14-2-1-9-24(12-14)11-13-3-5-15(21)6-4-13/h3-8,10,14H,1-2,9,11-12H2,(H,23,25)
InChIKeyQCZQVOQXQLZKHA-UHFFFAOYSA-N
XLogP5.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.18
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43923085
N-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43924876
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 43923089
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
1-[(4-bromophenyl)methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 43922182
1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide
CID 43921795
(3S)-N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 93490504
N-(4-bromo-3-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43922058
1-[(4-chlorophenyl)methyl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43922850
N-(3-bromophenyl)-1-[(4-bromophenyl)methyl]piperidine-3-carboxamide
CID 43919496

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide (CID 43924875) is N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide is O=C(Nc1ccc(Br)c(Cl)c1)C1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is QCZQVOQXQLZKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrCl2N2O/c20-17-8-7-16(10-18(17)22)23-19(25)14-2-1-9-24(12-14)11-13-3-5-15(21)6-4-13/h3-8,10,14H,1-2,9,11-12H2,(H,23,25).
What are the key properties of N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 442.18 g/mol, XLogP of 5.61, 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-chlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43924875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).