N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide

C15H19ClF2N2O3 — CID 110880942

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1CO)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C15H19ClF2N2O3/c16-12-7-10(4-5-13(12)23-15(17)18)19-14(22)8-20-6-2-1-3-11(20)9-21/h4-5,7,11,15,21H,1-3,6,8-9H2,(H,19,22)
InChIKeyRSNVJJIMPBALPS-UHFFFAOYSA-N
MW348.78 g/mol
LogP2.73
Rot. Bonds6

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 110880942) has the molecular formula C15H19ClF2N2O3 and a molecular weight of 348.78 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID110880942
Molecular FormulaC15H19ClF2N2O3
Molecular Weight348.78 g/mol
Exact Mass348.11
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1CO)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C15H19ClF2N2O3/c16-12-7-10(4-5-13(12)23-15(17)18)19-14(22)8-20-6-2-1-3-11(20)9-21/h4-5,7,11,15,21H,1-3,6,8-9H2,(H,19,22)
InChIKeyRSNVJJIMPBALPS-UHFFFAOYSA-N
XLogP2.73
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.78
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942370
N-(3,4-difluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684646
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 61259459
4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]thiomorpholine-3-carboxamide
CID 167893321
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684923
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 17024298
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 8696467
N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684623
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 134055274
N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250254
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 112801340

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide (CID 110880942) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide is O=C(CN1CCCCC1CO)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is RSNVJJIMPBALPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF2N2O3/c16-12-7-10(4-5-13(12)23-15(17)18)19-14(22)8-20-6-2-1-3-11(20)9-21/h4-5,7,11,15,21H,1-3,6,8-9H2,(H,19,22).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 348.78 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 110880942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).