N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide

C15H17ClF2N2O3 — CID 71985788

IUPACN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESO=C(CN1CCCCC1=O)NCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C15H17ClF2N2O3/c16-11-4-5-12(23-15(17)18)10(7-11)8-19-13(21)9-20-6-2-1-3-14(20)22/h4-5,7,15H,1-3,6,8-9H2,(H,19,21)
InChIKeyJFPAWFLMDITKMQ-UHFFFAOYSA-N
MW346.76 g/mol
LogP2.57
Rot. Bonds6

About N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 71985788) has the molecular formula C15H17ClF2N2O3 and a molecular weight of 346.76 g/mol. Its IUPAC name is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID71985788
Molecular FormulaC15H17ClF2N2O3
Molecular Weight346.76 g/mol
Exact Mass346.09
IUPAC NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
SMILESO=C(CN1CCCCC1=O)NCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C15H17ClF2N2O3/c16-11-4-5-12(23-15(17)18)10(7-11)8-19-13(21)9-20-6-2-1-3-14(20)22/h4-5,7,15H,1-3,6,8-9H2,(H,19,21)
InChIKeyJFPAWFLMDITKMQ-UHFFFAOYSA-N
XLogP2.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.76
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 91888369
N-(3,5-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 110689887
(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
CID 119340956
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 122132393
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazine-6-carboxamide
CID 154742184
N-[8-(difluoromethoxy)quinolin-5-yl]-2-(2-oxoazepan-1-yl)acetamide
CID 71888385
5-chloro-2-fluoro-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 9093083
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119813987
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 71985278
N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 86930614
9-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991503
N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34696990

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide (CID 71985788) is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide is O=C(CN1CCCCC1=O)NCc1cc(Cl)ccc1OC(F)F.
What is the InChIKey of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is JFPAWFLMDITKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N2O3/c16-11-4-5-12(23-15(17)18)10(7-11)8-19-13(21)9-20-6-2-1-3-14(20)22/h4-5,7,15H,1-3,6,8-9H2,(H,19,21).
What are the key properties of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide?
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 346.76 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 71985788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).