N-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide

C14H18ClFN2O — CID 55177203

IUPACN-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)Nc2ccc(F)cc2Cl)CCNCC1
InChIInChI=1S/C14H18ClFN2O/c1-2-14(5-7-17-8-6-14)13(19)18-12-4-3-10(16)9-11(12)15/h3-4,9,17H,2,5-8H2,1H3,(H,18,19)
InChIKeyXBOZQRKRBPBPEI-UHFFFAOYSA-N
MW284.76 g/mol
LogP3.20
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide

N-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide (PubChem CID 55177203) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide
PubChem CID55177203
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide
SMILESCCC1(C(=O)Nc2ccc(F)cc2Cl)CCNCC1
InChIInChI=1S/C14H18ClFN2O/c1-2-14(5-7-17-8-6-14)13(19)18-12-4-3-10(16)9-11(12)15/h3-4,9,17H,2,5-8H2,1H3,(H,18,19)
InChIKeyXBOZQRKRBPBPEI-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-chloro-4,6-difluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 83088271
1-(aminomethyl)-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115437214
N-(2,4-difluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132090
N-(2,6-dichloro-3-methylphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127324
N-(4-bromo-2,5-difluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 107611654
N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121495
N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide
CID 107620276
2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570337
4-ethyl-N-(2-methoxy-4-methylphenyl)piperidine-4-carboxamide
CID 63128400
5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid
CID 63128962
3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 63138345
4-ethyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 63127797

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide (CID 55177203) is N-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide is CCC1(C(=O)Nc2ccc(F)cc2Cl)CCNCC1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide?
The InChIKey is XBOZQRKRBPBPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-2-14(5-7-17-8-6-14)13(19)18-12-4-3-10(16)9-11(12)15/h3-4,9,17H,2,5-8H2,1H3,(H,18,19).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide?
N-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-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-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 55177203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).