2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide

C17H22ClFN2O2 — CID 119104046

IUPAC2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(C2CCOC2)CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H22ClFN2O2/c18-16-9-13(19)1-2-15(16)17(22)20-10-12-3-6-21(7-4-12)14-5-8-23-11-14/h1-2,9,12,14H,3-8,10-11H2,(H,20,22)
InChIKeyIUKBQCHUYMIRCQ-UHFFFAOYSA-N
MW340.83 g/mol
LogP2.71
Rot. Bonds4

About 2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide

2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide (PubChem CID 119104046) has the molecular formula C17H22ClFN2O2 and a molecular weight of 340.83 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide
PubChem CID119104046
Molecular FormulaC17H22ClFN2O2
Molecular Weight340.83 g/mol
Exact Mass340.14
IUPAC Name2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(C2CCOC2)CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C17H22ClFN2O2/c18-16-9-13(19)1-2-15(16)17(22)20-10-12-3-6-21(7-4-12)14-5-8-23-11-14/h1-2,9,12,14H,3-8,10-11H2,(H,20,22)
InChIKeyIUKBQCHUYMIRCQ-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 119104036
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide
CID 121021222
2-chloro-4-fluoro-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzamide
CID 71786573
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 99832914
4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride
CID 119854816
4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide
CID 61140038
(2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55173736
1-(4-tert-butylphenyl)-3-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]urea
CID 119104088
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide
CID 121021220
5-fluoro-2-nitro-N-(oxan-4-ylmethyl)benzamide
CID 62720855

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide (CID 119104046) is 2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(C2CCOC2)CC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide?
The InChIKey is IUKBQCHUYMIRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O2/c18-16-9-13(19)1-2-15(16)17(22)20-10-12-3-6-21(7-4-12)14-5-8-23-11-14/h1-2,9,12,14H,3-8,10-11H2,(H,20,22).
What are the key properties of 2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide?
2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide has a molecular weight of 340.83 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 119104046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).