2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-N-[2-(trifluoromethyl)phenyl]propanamide

C23H29F3N4O — CID 42952048

IUPAC2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCCN1CCN(c2ccc(NC(C)C(=O)Nc3ccccc3C(F)(F)F)cc2C)CC1
InChIInChI=1S/C23H29F3N4O/c1-4-29-11-13-30(14-12-29)21-10-9-18(15-16(21)2)27-17(3)22(31)28-20-8-6-5-7-19(20)23(24,25)26/h5-10,15,17,27H,4,11-14H2,1-3H3,(H,28,31)
InChIKeyLWWFPSWIWLNCPJ-UHFFFAOYSA-N
MW434.51 g/mol
LogP4.59
Rot. Bonds6

About 2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-N-[2-(trifluoromethyl)phenyl]propanamide

2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 42952048) has the molecular formula C23H29F3N4O and a molecular weight of 434.51 g/mol. Its IUPAC name is 2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID42952048
Molecular FormulaC23H29F3N4O
Molecular Weight434.51 g/mol
Exact Mass434.23
IUPAC Name2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCCN1CCN(c2ccc(NC(C)C(=O)Nc3ccccc3C(F)(F)F)cc2C)CC1
InChIInChI=1S/C23H29F3N4O/c1-4-29-11-13-30(14-12-29)21-10-9-18(15-16(21)2)27-17(3)22(31)28-20-8-6-5-7-19(20)23(24,25)26/h5-10,15,17,27H,4,11-14H2,1-3H3,(H,28,31)
InChIKeyLWWFPSWIWLNCPJ-UHFFFAOYSA-N
XLogP4.59
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-N-[2-(trifluoromethyl)phenyl]propanamide 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

(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]propanamide
CID 25330966
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242253
2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242154
2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242458
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 47090134
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]urea
CID 47033178
2-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-naphthalen-1-ylpropanamide
CID 55572493
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-phenylphenyl)acetamide
CID 27050656
2-(3-benzyl-4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24564727
2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide
CID 51167745
2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112914415
1-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 22430304

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-N-[2-(trifluoromethyl)phenyl]propanamide (CID 42952048) is 2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-N-[2-(trifluoromethyl)phenyl]propanamide is CCN1CCN(c2ccc(NC(C)C(=O)Nc3ccccc3C(F)(F)F)cc2C)CC1.
What is the InChIKey of 2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is LWWFPSWIWLNCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4O/c1-4-29-11-13-30(14-12-29)21-10-9-18(15-16(21)2)27-17(3)22(31)28-20-8-6-5-7-19(20)23(24,25)26/h5-10,15,17,27H,4,11-14H2,1-3H3,(H,28,31).
What are the key properties of 2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-N-[2-(trifluoromethyl)phenyl]propanamide?
2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 434.51 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 42952048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).