2-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]acetate

C18H18F6NO3- — CID 7221567

IUPAC2-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]acetate
SMILESO=C([O-])CC1(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C18H19F6NO3/c19-17(20,21)11-6-12(18(22,23)24)8-13(7-11)25-14(26)9-16(10-15(27)28)4-2-1-3-5-16/h6-8H,1-5,9-10H2,(H,25,26)(H,27,28)/p-1
InChIKeyUHKZHRFPDVYNNS-UHFFFAOYSA-M
MW410.33 g/mol
LogP4.14
Rot. Bonds5

About 2-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]acetate

2-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]acetate (PubChem CID 7221567) has the molecular formula C18H18F6NO3- and a molecular weight of 410.33 g/mol. Its IUPAC name is 2-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]acetate.

Molecular Properties

Compound Name2-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]acetate
PubChem CID7221567
Molecular FormulaC18H18F6NO3-
Molecular Weight410.33 g/mol
Exact Mass410.12
IUPAC Name2-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]acetate
SMILESO=C([O-])CC1(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C18H19F6NO3/c19-17(20,21)11-6-12(18(22,23)24)8-13(7-11)25-14(26)9-16(10-15(27)28)4-2-1-3-5-16/h6-8H,1-5,9-10H2,(H,25,26)(H,27,28)/p-1
InChIKeyUHKZHRFPDVYNNS-UHFFFAOYSA-M
XLogP4.14
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2459919
2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate
CID 4077070
2-[1-(sulfanylmethyl)cyclopropyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 107020407
2-[1-[2-(1-aminocyclohexyl)acetyl]piperidin-4-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 51038641
2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetate
CID 6927801
2-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid
CID 51037570
N-[3,5-bis(trifluoromethyl)phenyl]-4-(methylamino)butanamide
CID 119672496
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 60620663
2-(4-acetamidophenyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 9207196
1-acetamido-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 120604779
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664
N-[3,5-bis(trifluoromethyl)phenyl]-2-(methyldisulfanyl)acetamide
CID 141085999

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]acetate?
The IUPAC name of 2-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]acetate (CID 7221567) is 2-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]acetate.
What is the SMILES notation for 2-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]acetate?
The canonical SMILES for 2-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]acetate is O=C([O-])CC1(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCCC1.
What is the InChIKey of 2-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]acetate?
The InChIKey is UHKZHRFPDVYNNS-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H19F6NO3/c19-17(20,21)11-6-12(18(22,23)24)8-13(7-11)25-14(26)9-16(10-15(27)28)4-2-1-3-5-16/h6-8H,1-5,9-10H2,(H,25,26)(H,27,28)/p-1.
What are the key properties of 2-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]acetate?
2-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]acetate has a molecular weight of 410.33 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]cyclohexyl]acetate is sourced from PubChem (CID 7221567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).