N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C20H19F3N4O3 — CID 27786943

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1
InChIInChI=1S/C20H19F3N4O3/c1-26(11-17(28)24-13-6-5-7-14(10-13)30-2)18(29)12-27-16-9-4-3-8-15(16)25-19(27)20(21,22)23/h3-10H,11-12H2,1-2H3,(H,24,28)
InChIKeyLAPMDNNISWZZAJ-UHFFFAOYSA-N
MW420.39 g/mol
LogP3.16
Rot. Bonds6

About N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 27786943) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID27786943
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1
InChIInChI=1S/C20H19F3N4O3/c1-26(11-17(28)24-13-6-5-7-14(10-13)30-2)18(29)12-27-16-9-4-3-8-15(16)25-19(27)20(21,22)23/h3-10H,11-12H2,1-2H3,(H,24,28)
InChIKeyLAPMDNNISWZZAJ-UHFFFAOYSA-N
XLogP3.16
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]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

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 31927837
2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 55399523
N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26517476
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17033082
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9006710
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide
CID 37225028
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea
CID 35279970
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethylsulfanyl)benzamide
CID 9091999
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-methylbenzoate
CID 9202484

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 27786943) is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is COc1cccc(NC(=O)CN(C)C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is LAPMDNNISWZZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c1-26(11-17(28)24-13-6-5-7-14(10-13)30-2)18(29)12-27-16-9-4-3-8-15(16)25-19(27)20(21,22)23/h3-10H,11-12H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 420.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 27786943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).