N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide

C13H16ClF2N3O2 — CID 61259459

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C13H16ClF2N3O2/c14-10-7-9(1-2-11(10)21-13(15)16)18-12(20)8-19-5-3-17-4-6-19/h1-2,7,13,17H,3-6,8H2,(H,18,20)
InChIKeyZVHDJNQESFDIEM-UHFFFAOYSA-N
MW319.74 g/mol
LogP1.79
Rot. Bonds5

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide (PubChem CID 61259459) has the molecular formula C13H16ClF2N3O2 and a molecular weight of 319.74 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide
PubChem CID61259459
Molecular FormulaC13H16ClF2N3O2
Molecular Weight319.74 g/mol
Exact Mass319.09
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C13H16ClF2N3O2/c14-10-7-9(1-2-11(10)21-13(15)16)18-12(20)8-19-5-3-17-4-6-19/h1-2,7,13,17H,3-6,8H2,(H,18,20)
InChIKeyZVHDJNQESFDIEM-UHFFFAOYSA-N
XLogP1.79
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 112801340
4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 55649112
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 17024298
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 134055274
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
(3S,4S)-1-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120951
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110880942
N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide
CID 45032288
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide
CID 62675986
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 8696467
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-methylpiperidine-4-carboxamide
CID 63122437

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide (CID 61259459) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide is O=C(CN1CCNCC1)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide?
The InChIKey is ZVHDJNQESFDIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2N3O2/c14-10-7-9(1-2-11(10)21-13(15)16)18-12(20)8-19-5-3-17-4-6-19/h1-2,7,13,17H,3-6,8H2,(H,18,20).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide has a molecular weight of 319.74 g/mol, XLogP of 1.79, 5 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-piperazin-1-ylacetamide is sourced from PubChem (CID 61259459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).