N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide

C14H18ClFN2O — CID 63130400

IUPACN-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cc(Cl)ccc2F)CCCNC1
InChIInChI=1S/C14H18ClFN2O/c1-2-14(6-3-7-17-9-14)13(19)18-12-8-10(15)4-5-11(12)16/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyZDECUYCQQNVLEI-UHFFFAOYSA-N
MW284.76 g/mol
LogP3.20
Rot. Bonds3

About N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide

N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide (PubChem CID 63130400) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide
PubChem CID63130400
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC NameN-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cc(Cl)ccc2F)CCCNC1
InChIInChI=1S/C14H18ClFN2O/c1-2-14(6-3-7-17-9-14)13(19)18-12-8-10(15)4-5-11(12)16/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKeyZDECUYCQQNVLEI-UHFFFAOYSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132090
N-[5-chloro-2-(dimethylamino)phenyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139572
N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63138625
3-ethyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-3-carboxamide
CID 107641764
N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 104778149
N-(2,3-dichlorophenyl)-3-ethylpiperidine-3-carboxamide
CID 55179344
N-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130126
N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide
CID 107625392
N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide
CID 63132685
2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63724976
N-(4-bromo-2,5-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 107611749
3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 63138345

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide (CID 63130400) is N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide is CCC1(C(=O)Nc2cc(Cl)ccc2F)CCCNC1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide?
The InChIKey is ZDECUYCQQNVLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-2-14(6-3-7-17-9-14)13(19)18-12-8-10(15)4-5-11(12)16/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,18,19).
What are the key properties of N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide?
N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide has a molecular weight of 284.76 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 63130400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).