(2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide

C12H13BrCl2N2O — CID 28993479

IUPAC(2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1c(Cl)cc(Br)cc1Cl)[C@@H]1CCCCN1
InChIInChI=1S/C12H13BrCl2N2O/c13-7-5-8(14)11(9(15)6-7)17-12(18)10-3-1-2-4-16-10/h5-6,10,16H,1-4H2,(H,17,18)/t10-/m0/s1
InChIKeyDLEHIMRQUUYEFA-JTQLQIEISA-N
MW352.06 g/mol
LogP3.84
Rot. Bonds2

About (2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide

(2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide (PubChem CID 28993479) has the molecular formula C12H13BrCl2N2O and a molecular weight of 352.06 g/mol. Its IUPAC name is (2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide
PubChem CID28993479
Molecular FormulaC12H13BrCl2N2O
Molecular Weight352.06 g/mol
Exact Mass349.96
IUPAC Name(2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1c(Cl)cc(Br)cc1Cl)[C@@H]1CCCCN1
InChIInChI=1S/C12H13BrCl2N2O/c13-7-5-8(14)11(9(15)6-7)17-12(18)10-3-1-2-4-16-10/h5-6,10,16H,1-4H2,(H,17,18)/t10-/m0/s1
InChIKeyDLEHIMRQUUYEFA-JTQLQIEISA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.06
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide
CID 43126702
N-(2-chloro-4,6-difluorophenyl)piperidine-2-carboxamide
CID 83087927
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238
(2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide
CID 104914354
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
2-[(4-bromo-2,6-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 60942132
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
(2R)-N-[2-chloro-6-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 28951007
(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide
CID 103808460
N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 107680422

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide (CID 28993479) is (2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide is O=C(Nc1c(Cl)cc(Br)cc1Cl)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide?
The InChIKey is DLEHIMRQUUYEFA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13BrCl2N2O/c13-7-5-8(14)11(9(15)6-7)17-12(18)10-3-1-2-4-16-10/h5-6,10,16H,1-4H2,(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide?
(2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide has a molecular weight of 352.06 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 28993479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).