3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide

C15H20ClFN2O — CID 106629287

IUPAC3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide
SMILESCCN(CC1CCCNC1)C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H20ClFN2O/c1-2-19(10-11-4-3-7-18-9-11)15(20)12-5-6-14(17)13(16)8-12/h5-6,8,11,18H,2-4,7,9-10H2,1H3
InChIKeyCHWILYGACRYRRB-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.94
Rot. Bonds4

About 3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide

3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 106629287) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is 3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide
PubChem CID106629287
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide
SMILESCCN(CC1CCCNC1)C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H20ClFN2O/c1-2-19(10-11-4-3-7-18-9-11)15(20)12-5-6-14(17)13(16)8-12/h5-6,8,11,18H,2-4,7,9-10H2,1H3
InChIKeyCHWILYGACRYRRB-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629289
4-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 107990973
4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107990969
2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629488
3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107098424
N-ethyl-5-methyl-N-(piperidin-3-ylmethyl)furan-3-carboxamide
CID 106629294
5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide
CID 106629633
3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide
CID 103209649
4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627732
N-ethyl-5-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 106629522
N-ethyl-2-hydroxy-6-oxo-N-(piperidin-3-ylmethyl)-1H-pyridine-4-carboxamide
CID 106629345
3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629324

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide (CID 106629287) is 3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide is CCN(CC1CCCNC1)C(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is CHWILYGACRYRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-2-19(10-11-4-3-7-18-9-11)15(20)12-5-6-14(17)13(16)8-12/h5-6,8,11,18H,2-4,7,9-10H2,1H3.
What are the key properties of 3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide?
3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 298.79 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 106629287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).