N-(3,4-dichloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide

C13H15Cl2FN2O — CID 170264995

IUPACN-(3,4-dichloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)c(Cl)c2F)CCNCC1
InChIInChI=1S/C13H15Cl2FN2O/c1-13(4-6-17-7-5-13)12(19)18-9-3-2-8(14)10(15)11(9)16/h2-3,17H,4-7H2,1H3,(H,18,19)
InChIKeyKUVPMTDXTWGKAY-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.46
Rot. Bonds2

About N-(3,4-dichloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide

N-(3,4-dichloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide (PubChem CID 170264995) has the molecular formula C13H15Cl2FN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is N-(3,4-dichloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
PubChem CID170264995
Molecular FormulaC13H15Cl2FN2O
Molecular Weight305.18 g/mol
Exact Mass304.05
IUPAC NameN-(3,4-dichloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)c(Cl)c2F)CCNCC1
InChIInChI=1S/C13H15Cl2FN2O/c1-13(4-6-17-7-5-13)12(19)18-9-3-2-8(14)10(15)11(9)16/h2-3,17H,4-7H2,1H3,(H,18,19)
InChIKeyKUVPMTDXTWGKAY-UHFFFAOYSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.46
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-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121680
4-methyl-N-(2,3,4,5,6-pentafluorophenyl)piperidine-4-carboxamide
CID 115564450
N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121495
N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121522
N-(2,6-difluorophenyl)-4-methylpiperidine-4-carboxamide
CID 55177937
N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141919
N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63138625
N-[3-chloro-2-(dimethylamino)phenyl]-4-methylpiperidine-4-carboxamide
CID 63121972
N-(2,4-dimethylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121544
4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide
CID 55177366
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopropane-1-carboxamide
CID 120881068
N-(4-fluoro-2-nitrophenyl)-4-methylpiperidine-4-carboxamide
CID 63121900

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-(3,4-dichloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide (CID 170264995) is N-(3,4-dichloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dichloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dichloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide is CC1(C(=O)Nc2ccc(Cl)c(Cl)c2F)CCNCC1.
What is the InChIKey of N-(3,4-dichloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide?
The InChIKey is KUVPMTDXTWGKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2FN2O/c1-13(4-6-17-7-5-13)12(19)18-9-3-2-8(14)10(15)11(9)16/h2-3,17H,4-7H2,1H3,(H,18,19).
What are the key properties of N-(3,4-dichloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide?
N-(3,4-dichloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide has a molecular weight of 305.18 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 170264995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).