[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

C18H20ClF3N2O4 — CID 35647030

IUPAC[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H20ClF3N2O4/c19-13-7-6-12(18(20,21)22)8-14(13)24-15(25)10-28-16(26)9-23-17(27)11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,23,27)(H,24,25)
InChIKeyLRLDKODMPCJKST-UHFFFAOYSA-N
MW420.82 g/mol
LogP3.54
Rot. Bonds6

About [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 35647030) has the molecular formula C18H20ClF3N2O4 and a molecular weight of 420.82 g/mol. Its IUPAC name is [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID35647030
Molecular FormulaC18H20ClF3N2O4
Molecular Weight420.82 g/mol
Exact Mass420.11
IUPAC Name[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H20ClF3N2O4/c19-13-7-6-12(18(20,21)22)8-14(13)24-15(25)10-28-16(26)9-23-17(27)11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,23,27)(H,24,25)
InChIKeyLRLDKODMPCJKST-UHFFFAOYSA-N
XLogP3.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.82
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (CID 35647030) is [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is LRLDKODMPCJKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF3N2O4/c19-13-7-6-12(18(20,21)22)8-14(13)24-15(25)10-28-16(26)9-23-17(27)11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H,23,27)(H,24,25).
What are the key properties of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 420.82 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 35647030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).