N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide

C25H28F3N3O3 — CID 4276041

IUPACN-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCc1cccc(NC(=O)CNC(=O)CN(C(=O)c2ccc(C(F)(F)F)cc2)C2CCCCC2)c1
InChIInChI=1S/C25H28F3N3O3/c1-17-6-5-7-20(14-17)30-22(32)15-29-23(33)16-31(21-8-3-2-4-9-21)24(34)18-10-12-19(13-11-18)25(26,27)28/h5-7,10-14,21H,2-4,8-9,15-16H2,1H3,(H,29,33)(H,30,32)
InChIKeyWNVNHAKRUWKHIY-UHFFFAOYSA-N
MW475.51 g/mol
LogP4.54
Rot. Bonds7

About N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide

N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 4276041) has the molecular formula C25H28F3N3O3 and a molecular weight of 475.51 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
PubChem CID4276041
Molecular FormulaC25H28F3N3O3
Molecular Weight475.51 g/mol
Exact Mass475.21
IUPAC NameN-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCc1cccc(NC(=O)CNC(=O)CN(C(=O)c2ccc(C(F)(F)F)cc2)C2CCCCC2)c1
InChIInChI=1S/C25H28F3N3O3/c1-17-6-5-7-20(14-17)30-22(32)15-29-23(33)16-31(21-8-3-2-4-9-21)24(34)18-10-12-19(13-11-18)25(26,27)28/h5-7,10-14,21H,2-4,8-9,15-16H2,1H3,(H,29,33)(H,30,32)
InChIKeyWNVNHAKRUWKHIY-UHFFFAOYSA-N
XLogP4.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4183323
2-[[2-[cyclopropyl-(2-methoxyacetyl)amino]acetyl]amino]-N-(3-methylphenyl)acetamide
CID 3254765
4-chloro-N-cyclopropyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 4303769
2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16577679
N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 3895128
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1132545
methyl 4-[cyclohexyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]benzoate
CID 1169069
4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4169930
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 18087279
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
N-(2-bromoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide
CID 80656410

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 4276041) is N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide is Cc1cccc(NC(=O)CNC(=O)CN(C(=O)c2ccc(C(F)(F)F)cc2)C2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is WNVNHAKRUWKHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O3/c1-17-6-5-7-20(14-17)30-22(32)15-29-23(33)16-31(21-8-3-2-4-9-21)24(34)18-10-12-19(13-11-18)25(26,27)28/h5-7,10-14,21H,2-4,8-9,15-16H2,1H3,(H,29,33)(H,30,32).
What are the key properties of N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 475.51 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 4276041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).