2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide

C18H18ClFN2O2S — CID 108558668

IUPAC2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)Cc2cccs2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C18H18ClFN2O2S/c19-14-4-1-5-15(20)17(14)18(24)21-12-6-8-22(9-7-12)16(23)11-13-3-2-10-25-13/h1-5,10,12H,6-9,11H2,(H,21,24)
InChIKeyWPSASWOTNKUUNS-UHFFFAOYSA-N
MW380.87 g/mol
LogP3.50
Rot. Bonds4

About 2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide

2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide (PubChem CID 108558668) has the molecular formula C18H18ClFN2O2S and a molecular weight of 380.87 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
PubChem CID108558668
Molecular FormulaC18H18ClFN2O2S
Molecular Weight380.87 g/mol
Exact Mass380.08
IUPAC Name2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)Cc2cccs2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C18H18ClFN2O2S/c19-14-4-1-5-15(20)17(14)18(24)21-12-6-8-22(9-7-12)16(23)11-13-3-2-10-25-13/h1-5,10,12H,6-9,11H2,(H,21,24)
InChIKeyWPSASWOTNKUUNS-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4-trifluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
CID 108556797
2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide
CID 108563078
2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083187
3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
CID 110820695
1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 110820715
2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 86898999
5-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide
CID 49361441
2-(4-chlorophenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108554335
2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108558699
N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113005435
2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
CID 110726834
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide
CID 108558645

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide (CID 108558668) is 2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)Cc2cccs2)CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide?
The InChIKey is WPSASWOTNKUUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2S/c19-14-4-1-5-15(20)17(14)18(24)21-12-6-8-22(9-7-12)16(23)11-13-3-2-10-25-13/h1-5,10,12H,6-9,11H2,(H,21,24).
What are the key properties of 2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide?
2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide has a molecular weight of 380.87 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108558668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).