N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide

C13H15BrCl2N2O — CID 107790194

IUPACN-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(Br)c(Cl)c2Cl)CCCNC1
InChIInChI=1S/C13H15BrCl2N2O/c1-13(5-2-6-17-7-13)12(19)18-9-4-3-8(14)10(15)11(9)16/h3-4,17H,2,5-7H2,1H3,(H,18,19)
InChIKeyPTZHSOYBTOYMCP-UHFFFAOYSA-N
MW366.09 g/mol
LogP4.08
Rot. Bonds2

About N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide

N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide (PubChem CID 107790194) has the molecular formula C13H15BrCl2N2O and a molecular weight of 366.09 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide
PubChem CID107790194
Molecular FormulaC13H15BrCl2N2O
Molecular Weight366.09 g/mol
Exact Mass363.97
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(Br)c(Cl)c2Cl)CCCNC1
InChIInChI=1S/C13H15BrCl2N2O/c1-13(5-2-6-17-7-13)12(19)18-9-4-3-8(14)10(15)11(9)16/h3-4,17H,2,5-7H2,1H3,(H,18,19)
InChIKeyPTZHSOYBTOYMCP-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.09
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-nitrophenyl)-3-methylpiperidine-3-carboxamide
CID 63130791
5-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131916
N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide
CID 63129991
N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide
CID 104727176
4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131872
N-(4-fluoro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide
CID 55166819
N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141111
N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141919
3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 63132643
N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944066
N-[2-(difluoromethoxy)phenyl]-3-methylpiperidine-3-carboxamide
CID 63130045

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide (CID 107790194) is N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide is CC1(C(=O)Nc2ccc(Br)c(Cl)c2Cl)CCCNC1.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is PTZHSOYBTOYMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrCl2N2O/c1-13(5-2-6-17-7-13)12(19)18-9-4-3-8(14)10(15)11(9)16/h3-4,17H,2,5-7H2,1H3,(H,18,19).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide?
N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide has a molecular weight of 366.09 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 107790194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).