2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide

C16H22ClFN2O — CID 79698350

IUPAC2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide
SMILESCCN(CC1CCNCC1)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H22ClFN2O/c1-2-20(11-12-6-8-19-9-7-12)16(21)10-13-14(17)4-3-5-15(13)18/h3-5,12,19H,2,6-11H2,1H3
InChIKeyYPSOBGFRUZAHQE-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.87
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide

2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide (PubChem CID 79698350) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide
PubChem CID79698350
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide
SMILESCCN(CC1CCNCC1)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H22ClFN2O/c1-2-20(11-12-6-8-19-9-7-12)16(21)10-13-14(17)4-3-5-15(13)18/h3-5,12,19H,2,6-11H2,1H3
InChIKeyYPSOBGFRUZAHQE-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-6-fluorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 43602048
N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide
CID 104974489
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide
CID 78970591
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119682888
N-[(2-chloro-6-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715282
2,6-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702520
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715751
2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974055
N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)-N-prop-2-ynylacetamide
CID 113330087
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 60806803
5-chloro-N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82883488
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119267724

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide (CID 79698350) is 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide is CCN(CC1CCNCC1)C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide?
The InChIKey is YPSOBGFRUZAHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c1-2-20(11-12-6-8-19-9-7-12)16(21)10-13-14(17)4-3-5-15(13)18/h3-5,12,19H,2,6-11H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide has a molecular weight of 312.82 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide is sourced from PubChem (CID 79698350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).