2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide

C16H20F3N3O2 — CID 47063875

IUPAC2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cccc(NCC(=O)NCC(F)(F)F)c1C(=O)N1CCCC1
InChIInChI=1S/C16H20F3N3O2/c1-11-5-4-6-12(14(11)15(24)22-7-2-3-8-22)20-9-13(23)21-10-16(17,18)19/h4-6,20H,2-3,7-10H2,1H3,(H,21,23)
InChIKeyURXIPGUMBADGSO-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.32
Rot. Bonds5

About 2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 47063875) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID47063875
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cccc(NCC(=O)NCC(F)(F)F)c1C(=O)N1CCCC1
InChIInChI=1S/C16H20F3N3O2/c1-11-5-4-6-12(14(11)15(24)22-7-2-3-8-22)20-9-13(23)21-10-16(17,18)19/h4-6,20H,2-3,7-10H2,1H3,(H,21,23)
InChIKeyURXIPGUMBADGSO-UHFFFAOYSA-N
XLogP2.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 47063880
2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688864
1-[(2R)-2-hydroxy-2-methylbutyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 95168023
2-[2-(morpholine-4-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 32996630
2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 111331876
[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone
CID 22493423
4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119715797
2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60652978
2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide
CID 60536680
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9435279
2-(cyclopropylmethoxy)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 51080949
1-(azepan-1-yl)-2-(3-bromo-2-methylanilino)ethanone
CID 103721440

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide (CID 47063875) is 2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1cccc(NCC(=O)NCC(F)(F)F)c1C(=O)N1CCCC1.
What is the InChIKey of 2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is URXIPGUMBADGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-11-5-4-6-12(14(11)15(24)22-7-2-3-8-22)20-9-13(23)21-10-16(17,18)19/h4-6,20H,2-3,7-10H2,1H3,(H,21,23).
What are the key properties of 2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 343.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 47063875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).