1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide

C19H19BrClFN2O — CID 43923089

IUPAC1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCCN(Cc2cccc(Br)c2)C1
InChIInChI=1S/C19H19BrClFN2O/c20-15-5-1-3-13(9-15)11-24-8-2-4-14(12-24)19(25)23-16-6-7-18(22)17(21)10-16/h1,3,5-7,9-10,14H,2,4,8,11-12H2,(H,23,25)
InChIKeyBHPIDZOMDFIXFT-UHFFFAOYSA-N
MW425.73 g/mol
LogP5.09
Rot. Bonds4

About 1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide

1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide (PubChem CID 43923089) has the molecular formula C19H19BrClFN2O and a molecular weight of 425.73 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide
PubChem CID43923089
Molecular FormulaC19H19BrClFN2O
Molecular Weight425.73 g/mol
Exact Mass424.04
IUPAC Name1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCCN(Cc2cccc(Br)c2)C1
InChIInChI=1S/C19H19BrClFN2O/c20-15-5-1-3-13(9-15)11-24-8-2-4-14(12-24)19(25)23-16-6-7-18(22)17(21)10-16/h1,3,5-7,9-10,14H,2,4,8,11-12H2,(H,23,25)
InChIKeyBHPIDZOMDFIXFT-UHFFFAOYSA-N
XLogP5.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.73
LogP ≤ 55.09
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
1-[(3-bromophenyl)methyl]-N-(2-chlorophenyl)piperidine-3-carboxamide
CID 43919379
N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924875
N-(3-bromophenyl)-1-[(4-bromophenyl)methyl]piperidine-3-carboxamide
CID 43919496
1-[(3-bromophenyl)methyl]-N-(3-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 43921642
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 43922322
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
N-(4-bromo-3-chlorophenyl)-1-[(3-bromophenyl)methyl]piperidine-4-carboxamide
CID 43924887
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide (CID 43923089) is 1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)C1CCCN(Cc2cccc(Br)c2)C1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is BHPIDZOMDFIXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClFN2O/c20-15-5-1-3-13(9-15)11-24-8-2-4-14(12-24)19(25)23-16-6-7-18(22)17(21)10-16/h1,3,5-7,9-10,14H,2,4,8,11-12H2,(H,23,25).
What are the key properties of 1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide?
1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 425.73 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-N-(3-chloro-4-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43923089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).