[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate

C18H21ClF2N2O5 — CID 55460194

IUPAC[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate
SMILESCC(=O)NC(C(=O)OCC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CCCC1
InChIInChI=1S/C18H21ClF2N2O5/c1-10(24)22-16(11-4-2-3-5-11)17(26)27-9-15(25)23-12-6-7-14(13(19)8-12)28-18(20)21/h6-8,11,16,18H,2-5,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyWRNRYOJNIIRRCK-UHFFFAOYSA-N
MW418.82 g/mol
LogP3.12
Rot. Bonds8

About [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate

[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate (PubChem CID 55460194) has the molecular formula C18H21ClF2N2O5 and a molecular weight of 418.82 g/mol. Its IUPAC name is [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate.

Molecular Properties

Compound Name[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate
PubChem CID55460194
Molecular FormulaC18H21ClF2N2O5
Molecular Weight418.82 g/mol
Exact Mass418.11
IUPAC Name[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate
SMILESCC(=O)NC(C(=O)OCC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CCCC1
InChIInChI=1S/C18H21ClF2N2O5/c1-10(24)22-16(11-4-2-3-5-11)17(26)27-9-15(25)23-12-6-7-14(13(19)8-12)28-18(20)21/h6-8,11,16,18H,2-5,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyWRNRYOJNIIRRCK-UHFFFAOYSA-N
XLogP3.12
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.82
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-acetamido-2-cyclopentylacetate
CID 55459650
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604962
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
CID 17269947
3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
CID 16589515
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 18225712
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 16528284
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 64822097
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 61258739
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide
CID 62675986
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-ethylphenoxy)acetate
CID 46789518
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110880942

Frequently Asked Questions

What is the IUPAC name of [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate?
The IUPAC name of [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate (CID 55460194) is [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate.
What is the SMILES notation for [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate?
The canonical SMILES for [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate is CC(=O)NC(C(=O)OCC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CCCC1.
What is the InChIKey of [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate?
The InChIKey is WRNRYOJNIIRRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClF2N2O5/c1-10(24)22-16(11-4-2-3-5-11)17(26)27-9-15(25)23-12-6-7-14(13(19)8-12)28-18(20)21/h6-8,11,16,18H,2-5,9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate?
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate has a molecular weight of 418.82 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-2-cyclopentylacetate is sourced from PubChem (CID 55460194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).