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

C19H19Br2ClN2O — CID 43924887

IUPACN-(4-bromo-3-chlorophenyl)-1-[(3-bromophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CCN(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C19H19Br2ClN2O/c20-15-3-1-2-13(10-15)12-24-8-6-14(7-9-24)19(25)23-16-4-5-17(21)18(22)11-16/h1-5,10-11,14H,6-9,12H2,(H,23,25)
InChIKeyNMMSVMHJXYOZFO-UHFFFAOYSA-N
MW486.64 g/mol
LogP5.72
Rot. Bonds4

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

N-(4-bromo-3-chlorophenyl)-1-[(3-bromophenyl)methyl]piperidine-4-carboxamide (PubChem CID 43924887) has the molecular formula C19H19Br2ClN2O and a molecular weight of 486.64 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-1-[(3-bromophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-1-[(3-bromophenyl)methyl]piperidine-4-carboxamide
PubChem CID43924887
Molecular FormulaC19H19Br2ClN2O
Molecular Weight486.64 g/mol
Exact Mass483.96
IUPAC NameN-(4-bromo-3-chlorophenyl)-1-[(3-bromophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1)C1CCN(Cc2cccc(Br)c2)CC1
InChIInChI=1S/C19H19Br2ClN2O/c20-15-3-1-2-13(10-15)12-24-8-6-14(7-9-24)19(25)23-16-4-5-17(21)18(22)11-16/h1-5,10-11,14H,6-9,12H2,(H,23,25)
InChIKeyNMMSVMHJXYOZFO-UHFFFAOYSA-N
XLogP5.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.64
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 43923089
N-(4-bromo-3-chlorophenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100685849
ethyl 4-[[1-[(3-bromophenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 43919856
N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921688
1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 43919037
N-(3-chloro-4-methylphenyl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921689
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924875
N-(4-bromo-3-chlorophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115240
N-(4-bromo-3-chlorophenyl)-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 43905199
1-[(3-bromophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;oxalic acid
CID 163328458

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-1-[(3-bromophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-1-[(3-bromophenyl)methyl]piperidine-4-carboxamide (CID 43924887) is N-(4-bromo-3-chlorophenyl)-1-[(3-bromophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-1-[(3-bromophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-1-[(3-bromophenyl)methyl]piperidine-4-carboxamide is O=C(Nc1ccc(Br)c(Cl)c1)C1CCN(Cc2cccc(Br)c2)CC1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-1-[(3-bromophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is NMMSVMHJXYOZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Br2ClN2O/c20-15-3-1-2-13(10-15)12-24-8-6-14(7-9-24)19(25)23-16-4-5-17(21)18(22)11-16/h1-5,10-11,14H,6-9,12H2,(H,23,25).
What are the key properties of N-(4-bromo-3-chlorophenyl)-1-[(3-bromophenyl)methyl]piperidine-4-carboxamide?
N-(4-bromo-3-chlorophenyl)-1-[(3-bromophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 486.64 g/mol, XLogP of 5.72, 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-[(3-bromophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43924887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).