2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide

C15H20ClFN2O — CID 106626140

IUPAC2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCCN1)C(=O)c1cccc(F)c1Cl
InChIInChI=1S/C15H20ClFN2O/c1-2-19(10-11-6-3-4-9-18-11)15(20)12-7-5-8-13(17)14(12)16/h5,7-8,11,18H,2-4,6,9-10H2,1H3
InChIKeyVFIMJERFNSBWGM-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.08
Rot. Bonds4

About 2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide

2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide (PubChem CID 106626140) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is 2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide
PubChem CID106626140
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide
SMILESCCN(CC1CCCCN1)C(=O)c1cccc(F)c1Cl
InChIInChI=1S/C15H20ClFN2O/c1-2-19(10-11-6-3-4-9-18-11)15(20)12-7-5-8-13(17)14(12)16/h5,7-8,11,18H,2-4,6,9-10H2,1H3
InChIKeyVFIMJERFNSBWGM-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,6-difluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626235
2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609343
2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629488
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608668
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611182
N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 106626297
N-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide
CID 107732253
5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609221
2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107983269

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide (CID 106626140) is 2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide is CCN(CC1CCCCN1)C(=O)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide?
The InChIKey is VFIMJERFNSBWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-2-19(10-11-6-3-4-9-18-11)15(20)12-7-5-8-13(17)14(12)16/h5,7-8,11,18H,2-4,6,9-10H2,1H3.
What are the key properties of 2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide?
2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide has a molecular weight of 298.79 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106626140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).