2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide

C24H29F3N4O2 — CID 24510760

IUPAC2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
SMILESCN(Cc1ccccc1NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)C1CCCCC1
InChIInChI=1S/C24H29F3N4O2/c1-31(17-8-3-2-4-9-17)15-16-7-5-6-10-19(16)28-13-21(32)29-14-22(33)30-20-12-11-18(25)23(26)24(20)27/h5-7,10-12,17,28H,2-4,8-9,13-15H2,1H3,(H,29,32)(H,30,33)
InChIKeyFHYXAFJAERLXSC-UHFFFAOYSA-N
MW462.52 g/mol
LogP4.04
Rot. Bonds9

About 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide

2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide (PubChem CID 24510760) has the molecular formula C24H29F3N4O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
PubChem CID24510760
Molecular FormulaC24H29F3N4O2
Molecular Weight462.52 g/mol
Exact Mass462.22
IUPAC Name2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
SMILESCN(Cc1ccccc1NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)C1CCCCC1
InChIInChI=1S/C24H29F3N4O2/c1-31(17-8-3-2-4-9-17)15-16-7-5-6-10-19(16)28-13-21(32)29-14-22(33)30-20-12-11-18(25)23(26)24(20)27/h5-7,10-12,17,28H,2-4,8-9,13-15H2,1H3,(H,29,32)(H,30,33)
InChIKeyFHYXAFJAERLXSC-UHFFFAOYSA-N
XLogP4.04
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide 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

2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide
CID 78842111
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(2-methylbutan-2-yl)acetamide
CID 32901720
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylcarbamoyl)acetamide
CID 55365381
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9034646
3-[[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetyl]amino]-N-ethylbenzamide
CID 41391031
N-(3-cyanophenyl)-2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]acetamide
CID 9104665
cyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 9265188
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 52556439
2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 9461038
2-[[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9118016
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 51307622
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432249

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The IUPAC name of 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide (CID 24510760) is 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide.
What is the SMILES notation for 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The canonical SMILES for 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide is CN(Cc1ccccc1NCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)C1CCCCC1.
What is the InChIKey of 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The InChIKey is FHYXAFJAERLXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O2/c1-31(17-8-3-2-4-9-17)15-16-7-5-6-10-19(16)28-13-21(32)29-14-22(33)30-20-12-11-18(25)23(26)24(20)27/h5-7,10-12,17,28H,2-4,8-9,13-15H2,1H3,(H,29,32)(H,30,33).
What are the key properties of 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide has a molecular weight of 462.52 g/mol, XLogP of 4.04, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide is sourced from PubChem (CID 24510760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).