3-[[2-(butylamino)-2-oxoethyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide

C16H22F3N3O2 — CID 47064089

IUPAC3-[[2-(butylamino)-2-oxoethyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCCNC(=O)CNc1cc(C(=O)NCC(F)(F)F)ccc1C
InChIInChI=1S/C16H22F3N3O2/c1-3-4-7-20-14(23)9-21-13-8-12(6-5-11(13)2)15(24)22-10-16(17,18)19/h5-6,8,21H,3-4,7,9-10H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyOODUBRZWIXLUDF-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.62
Rot. Bonds8

About 3-[[2-(butylamino)-2-oxoethyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide

3-[[2-(butylamino)-2-oxoethyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 47064089) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-[[2-(butylamino)-2-oxoethyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(butylamino)-2-oxoethyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID47064089
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name3-[[2-(butylamino)-2-oxoethyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCCNC(=O)CNc1cc(C(=O)NCC(F)(F)F)ccc1C
InChIInChI=1S/C16H22F3N3O2/c1-3-4-7-20-14(23)9-21-13-8-12(6-5-11(13)2)15(24)22-10-16(17,18)19/h5-6,8,21H,3-4,7,9-10H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyOODUBRZWIXLUDF-UHFFFAOYSA-N
XLogP2.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 47064084
3-[(4-butoxybenzoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55785183
2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60652978
3-[(2-amino-2-methylpentanoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119726148
4-methyl-3-[[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55896979
N-butyl-2-(4-fluoro-2-methylanilino)acetamide
CID 60672489
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650
N-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 60703977
3-(butylamino)-N,4-dimethylbenzamide
CID 43726955
3-[3-(4-tert-butylphenyl)propanoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55784548
2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 43523684
N-butyl-2-(4-chloro-2-methylanilino)acetamide
CID 108993148

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(butylamino)-2-oxoethyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[[2-(butylamino)-2-oxoethyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 47064089) is 3-[[2-(butylamino)-2-oxoethyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[[2-(butylamino)-2-oxoethyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[[2-(butylamino)-2-oxoethyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide is CCCCNC(=O)CNc1cc(C(=O)NCC(F)(F)F)ccc1C.
What is the InChIKey of 3-[[2-(butylamino)-2-oxoethyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is OODUBRZWIXLUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-3-4-7-20-14(23)9-21-13-8-12(6-5-11(13)2)15(24)22-10-16(17,18)19/h5-6,8,21H,3-4,7,9-10H2,1-2H3,(H,20,23)(H,22,24).
What are the key properties of 3-[[2-(butylamino)-2-oxoethyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
3-[[2-(butylamino)-2-oxoethyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 345.37 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(butylamino)-2-oxoethyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 47064089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).