2-(3-cyanophenyl)-N-cyclohexyl-2-[3-(trifluoromethyl)anilino]acetamide

C22H22F3N3O — CID 69006706

IUPAC2-(3-cyanophenyl)-N-cyclohexyl-2-[3-(trifluoromethyl)anilino]acetamide
SMILESN#Cc1cccc(C(Nc2cccc(C(F)(F)F)c2)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C22H22F3N3O/c23-22(24,25)17-8-5-11-19(13-17)27-20(16-7-4-6-15(12-16)14-26)21(29)28-18-9-2-1-3-10-18/h4-8,11-13,18,20,27H,1-3,9-10H2,(H,28,29)
InChIKeyNGPKMWRDVXZEJO-UHFFFAOYSA-N
MW401.43 g/mol
LogP5.18
Rot. Bonds5

About 2-(3-cyanophenyl)-N-cyclohexyl-2-[3-(trifluoromethyl)anilino]acetamide

2-(3-cyanophenyl)-N-cyclohexyl-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 69006706) has the molecular formula C22H22F3N3O and a molecular weight of 401.43 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-N-cyclohexyl-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound Name2-(3-cyanophenyl)-N-cyclohexyl-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID69006706
Molecular FormulaC22H22F3N3O
Molecular Weight401.43 g/mol
Exact Mass401.17
IUPAC Name2-(3-cyanophenyl)-N-cyclohexyl-2-[3-(trifluoromethyl)anilino]acetamide
SMILESN#Cc1cccc(C(Nc2cccc(C(F)(F)F)c2)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C22H22F3N3O/c23-22(24,25)17-8-5-11-19(13-17)27-20(16-7-4-6-15(12-16)14-26)21(29)28-18-9-2-1-3-10-18/h4-8,11-13,18,20,27H,1-3,9-10H2,(H,28,29)
InChIKeyNGPKMWRDVXZEJO-UHFFFAOYSA-N
XLogP5.18
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.43
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 44546045
methyl (2R)-2-(3-cyanophenyl)-2-(cyclohexylamino)acetate
CID 97234614
2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 60997313
N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109031498
2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109132496
N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109013531
1-[(3R)-piperidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 104645603
methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate
CID 60998889
2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 47075796
6-N-cyclohexyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109095374
(2R)-2-[(3-cyanophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 94779767
N'-(3-cyanophenyl)-N-cyclopentylpropanediamide
CID 108942303

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-N-cyclohexyl-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of 2-(3-cyanophenyl)-N-cyclohexyl-2-[3-(trifluoromethyl)anilino]acetamide (CID 69006706) is 2-(3-cyanophenyl)-N-cyclohexyl-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for 2-(3-cyanophenyl)-N-cyclohexyl-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for 2-(3-cyanophenyl)-N-cyclohexyl-2-[3-(trifluoromethyl)anilino]acetamide is N#Cc1cccc(C(Nc2cccc(C(F)(F)F)c2)C(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-(3-cyanophenyl)-N-cyclohexyl-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is NGPKMWRDVXZEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O/c23-22(24,25)17-8-5-11-19(13-17)27-20(16-7-4-6-15(12-16)14-26)21(29)28-18-9-2-1-3-10-18/h4-8,11-13,18,20,27H,1-3,9-10H2,(H,28,29).
What are the key properties of 2-(3-cyanophenyl)-N-cyclohexyl-2-[3-(trifluoromethyl)anilino]acetamide?
2-(3-cyanophenyl)-N-cyclohexyl-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 401.43 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-N-cyclohexyl-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 69006706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).