N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide

C22H23F3N4O3 — CID 16596462

IUPACN-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C22H23F3N4O3/c1-3-28(14-19(30)26-16-9-5-4-8-15(16)22(23,24)25)20(31)12-13-29-18-11-7-6-10-17(18)27(2)21(29)32/h4-11H,3,12-14H2,1-2H3,(H,26,30)
InChIKeyBAIAXWBBKONMRO-UHFFFAOYSA-N
MW448.45 g/mol
LogP3.24
Rot. Bonds7

About N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide

N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide (PubChem CID 16596462) has the molecular formula C22H23F3N4O3 and a molecular weight of 448.45 g/mol. Its IUPAC name is N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
PubChem CID16596462
Molecular FormulaC22H23F3N4O3
Molecular Weight448.45 g/mol
Exact Mass448.17
IUPAC NameN-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C22H23F3N4O3/c1-3-28(14-19(30)26-16-9-5-4-8-15(16)22(23,24)25)20(31)12-13-29-18-11-7-6-10-17(18)27(2)21(29)32/h4-11H,3,12-14H2,1-2H3,(H,26,30)
InChIKeyBAIAXWBBKONMRO-UHFFFAOYSA-N
XLogP3.24
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 16561398
N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 134059299
N-ethyl-4-(methylamino)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 119682068
N-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide
CID 55755141
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 26357064
3-(4-ethoxyphenoxy)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 24983106
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
N-ethyl-3-(4-fluorophenyl)sulfanyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 24982335
N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18134876
N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 51103434
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 55512532
2-(2,4-dichlorophenyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 26357087

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The IUPAC name of N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide (CID 16596462) is N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide.
What is the SMILES notation for N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The canonical SMILES for N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCn1c(=O)n(C)c2ccccc21.
What is the InChIKey of N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The InChIKey is BAIAXWBBKONMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3/c1-3-28(14-19(30)26-16-9-5-4-8-15(16)22(23,24)25)20(31)12-13-29-18-11-7-6-10-17(18)27(2)21(29)32/h4-11H,3,12-14H2,1-2H3,(H,26,30).
What are the key properties of N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide has a molecular weight of 448.45 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide is sourced from PubChem (CID 16596462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).