N-[2-[4-(difluoromethylidene)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzamide

C15H15F3N2O2 — CID 126829414

IUPACN-[2-[4-(difluoromethylidene)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(NCC(=O)N1CCC(=C(F)F)CC1)c1ccc(F)cc1
InChIInChI=1S/C15H15F3N2O2/c16-12-3-1-11(2-4-12)15(22)19-9-13(21)20-7-5-10(6-8-20)14(17)18/h1-4H,5-9H2,(H,19,22)
InChIKeyDOZUWYCUQMIWCC-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.33
Rot. Bonds3

About N-[2-[4-(difluoromethylidene)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzamide

N-[2-[4-(difluoromethylidene)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 126829414) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is N-[2-[4-(difluoromethylidene)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethylidene)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzamide
PubChem CID126829414
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC NameN-[2-[4-(difluoromethylidene)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(NCC(=O)N1CCC(=C(F)F)CC1)c1ccc(F)cc1
InChIInChI=1S/C15H15F3N2O2/c16-12-3-1-11(2-4-12)15(22)19-9-13(21)20-7-5-10(6-8-20)14(17)18/h1-4H,5-9H2,(H,19,22)
InChIKeyDOZUWYCUQMIWCC-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677
4-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543562
4-fluoro-N-[2-oxo-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 46413222
4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 26590726
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9081766
4-fluoro-N-[2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 112815473
ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate
CID 27555474
4-fluoro-N-[2-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 55837955
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318
ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanol
CID 145138996
ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanamine
CID 145139009

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethylidene)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[4-(difluoromethylidene)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzamide (CID 126829414) is N-[2-[4-(difluoromethylidene)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[4-(difluoromethylidene)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[4-(difluoromethylidene)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzamide is O=C(NCC(=O)N1CCC(=C(F)F)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[4-(difluoromethylidene)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is DOZUWYCUQMIWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c16-12-3-1-11(2-4-12)15(22)19-9-13(21)20-7-5-10(6-8-20)14(17)18/h1-4H,5-9H2,(H,19,22).
What are the key properties of N-[2-[4-(difluoromethylidene)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[4-(difluoromethylidene)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 312.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethylidene)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 126829414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).