N-(3-bromo-5-chloro-2-methoxyphenyl)piperidine-2-carboxamide

C13H16BrClN2O2 — CID 43704356

IUPACN-(3-bromo-5-chloro-2-methoxyphenyl)piperidine-2-carboxamide
SMILESCOc1c(Br)cc(Cl)cc1NC(=O)C1CCCCN1
InChIInChI=1S/C13H16BrClN2O2/c1-19-12-9(14)6-8(15)7-11(12)17-13(18)10-4-2-3-5-16-10/h6-7,10,16H,2-5H2,1H3,(H,17,18)
InChIKeyNPFBKGSQSNDFBX-UHFFFAOYSA-N
MW347.64 g/mol
LogP3.19
Rot. Bonds3

About N-(3-bromo-5-chloro-2-methoxyphenyl)piperidine-2-carboxamide

N-(3-bromo-5-chloro-2-methoxyphenyl)piperidine-2-carboxamide (PubChem CID 43704356) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.64 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-methoxyphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-methoxyphenyl)piperidine-2-carboxamide
PubChem CID43704356
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.64 g/mol
Exact Mass346.01
IUPAC NameN-(3-bromo-5-chloro-2-methoxyphenyl)piperidine-2-carboxamide
SMILESCOc1c(Br)cc(Cl)cc1NC(=O)C1CCCCN1
InChIInChI=1S/C13H16BrClN2O2/c1-19-12-9(14)6-8(15)7-11(12)17-13(18)10-4-2-3-5-16-10/h6-7,10,16H,2-5H2,1H3,(H,17,18)
InChIKeyNPFBKGSQSNDFBX-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-5-chloro-2-methoxyphenyl)thiomorpholine-3-carboxamide
CID 82906740
(2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide
CID 104914354
N-(5-chloro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119264186
N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 43233979
(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide
CID 104914544
N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312729
(2S)-N-(3,4,5-trimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671461
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832
N-(3-bromo-5-chloro-2-methoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62211576
(2S)-N-(4-bromo-2,6-dichlorophenyl)piperidine-2-carboxamide
CID 28993479

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-methoxyphenyl)piperidine-2-carboxamide?
The IUPAC name of N-(3-bromo-5-chloro-2-methoxyphenyl)piperidine-2-carboxamide (CID 43704356) is N-(3-bromo-5-chloro-2-methoxyphenyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-5-chloro-2-methoxyphenyl)piperidine-2-carboxamide?
The canonical SMILES for N-(3-bromo-5-chloro-2-methoxyphenyl)piperidine-2-carboxamide is COc1c(Br)cc(Cl)cc1NC(=O)C1CCCCN1.
What is the InChIKey of N-(3-bromo-5-chloro-2-methoxyphenyl)piperidine-2-carboxamide?
The InChIKey is NPFBKGSQSNDFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O2/c1-19-12-9(14)6-8(15)7-11(12)17-13(18)10-4-2-3-5-16-10/h6-7,10,16H,2-5H2,1H3,(H,17,18).
What are the key properties of N-(3-bromo-5-chloro-2-methoxyphenyl)piperidine-2-carboxamide?
N-(3-bromo-5-chloro-2-methoxyphenyl)piperidine-2-carboxamide has a molecular weight of 347.64 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-methoxyphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 43704356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).