2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

C14H19Cl2FN2O — CID 119559044

IUPAC2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1c(F)cccc1Cl
InChIInChI=1S/C14H18ClFN2O.ClH/c15-11-4-1-5-12(16)13(11)14(19)18-8-6-10-3-2-7-17-9-10;/h1,4-5,10,17H,2-3,6-9H2,(H,18,19);1H
InChIKeyMMFSRVWQRDFHRD-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.02
Rot. Bonds4

About 2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119559044) has the molecular formula C14H19Cl2FN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119559044
Molecular FormulaC14H19Cl2FN2O
Molecular Weight321.22 g/mol
Exact Mass320.09
IUPAC Name2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1c(F)cccc1Cl
InChIInChI=1S/C14H18ClFN2O.ClH/c15-11-4-1-5-12(16)13(11)14(19)18-8-6-10-3-2-7-17-9-10;/h1,4-5,10,17H,2-3,6-9H2,(H,18,19);1H
InChIKeyMMFSRVWQRDFHRD-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555428
4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990343
2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 79749359
2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106628756
2-(2-chloro-6-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63623426
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407
2-chloro-6-(2-chlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537624
2-chloro-4,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536489
7-fluoro-N-(2-piperidin-3-ylethyl)isoquinoline-8-carboxamide
CID 155952445
7-chloro-3-methyl-N-(2-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119556193

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119559044) is 2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is MMFSRVWQRDFHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O.ClH/c15-11-4-1-5-12(16)13(11)14(19)18-8-6-10-3-2-7-17-9-10;/h1,4-5,10,17H,2-3,6-9H2,(H,18,19);1H.
What are the key properties of 2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 321.22 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119559044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).