N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide

C15H20ClFN2O2 — CID 112976964

IUPACN-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCOc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C15H20ClFN2O2/c1-11-4-7-19(8-5-11)15(20)18-6-9-21-14-3-2-12(17)10-13(14)16/h2-3,10-11H,4-9H2,1H3,(H,18,20)
InChIKeyGAJIDZMOSLNSKB-UHFFFAOYSA-N
MW314.79 g/mol
LogP3.30
Rot. Bonds4

About N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide

N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide (PubChem CID 112976964) has the molecular formula C15H20ClFN2O2 and a molecular weight of 314.79 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide
PubChem CID112976964
Molecular FormulaC15H20ClFN2O2
Molecular Weight314.79 g/mol
Exact Mass314.12
IUPAC NameN-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCOc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C15H20ClFN2O2/c1-11-4-7-19(8-5-11)15(20)18-6-9-21-14-3-2-12(17)10-13(14)16/h2-3,10-11H,4-9H2,1H3,(H,18,20)
InChIKeyGAJIDZMOSLNSKB-UHFFFAOYSA-N
XLogP3.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide
CID 108882317
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112977019
methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate
CID 113102971
N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
CID 113102910
N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223020
N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112970539
(3R)-N-[2-(2,4-difluorophenoxy)ethyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 99626997
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide
CID 112976866
4-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperidine-1-carboxamide
CID 112974982
3-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,1-diethylurea
CID 112977021
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 112977042
3-(2-chloro-4-fluorophenoxy)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 124612980

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide (CID 112976964) is N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NCCOc2ccc(F)cc2Cl)CC1.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is GAJIDZMOSLNSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O2/c1-11-4-7-19(8-5-11)15(20)18-6-9-21-14-3-2-12(17)10-13(14)16/h2-3,10-11H,4-9H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide?
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 314.79 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 112976964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).