N-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide

C14H17ClF2N2O — CID 83088271

IUPACN-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)Nc2c(F)cc(F)cc2Cl)CCNCC1
InChIInChI=1S/C14H17ClF2N2O/c1-2-14(3-5-18-6-4-14)13(20)19-12-10(15)7-9(16)8-11(12)17/h7-8,18H,2-6H2,1H3,(H,19,20)
InChIKeyHEZZQTONCNLMHH-UHFFFAOYSA-N
MW302.75 g/mol
LogP3.34
Rot. Bonds3

About N-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide

N-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide (PubChem CID 83088271) has the molecular formula C14H17ClF2N2O and a molecular weight of 302.75 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide
PubChem CID83088271
Molecular FormulaC14H17ClF2N2O
Molecular Weight302.75 g/mol
Exact Mass302.10
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)Nc2c(F)cc(F)cc2Cl)CCNCC1
InChIInChI=1S/C14H17ClF2N2O/c1-2-14(3-5-18-6-4-14)13(20)19-12-10(15)7-9(16)8-11(12)17/h7-8,18H,2-6H2,1H3,(H,19,20)
InChIKeyHEZZQTONCNLMHH-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.75
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 55177203
N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104597189
N-(4-bromo-2,5-difluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 107611654
N-(2,6-dichloro-3-methylphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127324
1-amino-N-(2-chloro-4,6-difluorophenyl)cyclopentane-1-carboxamide
CID 83087463
1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 83087352
N-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 83087291
N-(2,6-dichloro-4-fluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 83078951
N-(2-chloro-4,6-difluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656524
N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide
CID 107620276
2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
CID 83072170
N-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide
CID 63138744

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide (CID 83088271) is N-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide is CCC1(C(=O)Nc2c(F)cc(F)cc2Cl)CCNCC1.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide?
The InChIKey is HEZZQTONCNLMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N2O/c1-2-14(3-5-18-6-4-14)13(20)19-12-10(15)7-9(16)8-11(12)17/h7-8,18H,2-6H2,1H3,(H,19,20).
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide?
N-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide has a molecular weight of 302.75 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 83088271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).