N-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide

C14H19ClFN3O — CID 62545627

IUPACN-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
SMILESCNC1CCCN(CC(=O)Nc2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H19ClFN3O/c1-17-11-3-2-6-19(8-11)9-14(20)18-13-5-4-10(16)7-12(13)15/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,18,20)
InChIKeyJHOWGHYPJPOIQI-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.10
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide

N-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide (PubChem CID 62545627) has the molecular formula C14H19ClFN3O and a molecular weight of 299.78 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
PubChem CID62545627
Molecular FormulaC14H19ClFN3O
Molecular Weight299.78 g/mol
Exact Mass299.12
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
SMILESCNC1CCCN(CC(=O)Nc2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H19ClFN3O/c1-17-11-3-2-6-19(8-11)9-14(20)18-13-5-4-10(16)7-12(13)15/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,18,20)
InChIKeyJHOWGHYPJPOIQI-UHFFFAOYSA-N
XLogP2.10
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546007
N-(2-chloro-4-fluorophenyl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681562
N-(2,5-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545625
N-(3,4-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545984
N-(2-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919928
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919693
N-(2,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824448
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
ethyl N-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidin-3-yl]carbamate
CID 78900590
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-chloro-4-fluorophenyl)acetamide
CID 60972510
N-(2-methoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919921
N-(2-chloro-4-fluorophenyl)-2-[3-(triazol-1-yl)pyrrolidin-1-yl]acetamide
CID 154844041

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide (CID 62545627) is N-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide is CNC1CCCN(CC(=O)Nc2ccc(F)cc2Cl)C1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide?
The InChIKey is JHOWGHYPJPOIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3O/c1-17-11-3-2-6-19(8-11)9-14(20)18-13-5-4-10(16)7-12(13)15/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,18,20).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide?
N-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide has a molecular weight of 299.78 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 62545627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).