2-(cyclopropylamino)-N-[2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]acetamide

C12H16F3N3O — CID 86784389

IUPAC2-(cyclopropylamino)-N-[2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]acetamide
SMILESCn1ccc(C(NC(=O)CNC2CC2)C(F)(F)F)c1
InChIInChI=1S/C12H16F3N3O/c1-18-5-4-8(7-18)11(12(13,14)15)17-10(19)6-16-9-2-3-9/h4-5,7,9,11,16H,2-3,6H2,1H3,(H,17,19)
InChIKeyAIZZRNVWIGKSSL-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.50
Rot. Bonds5

About 2-(cyclopropylamino)-N-[2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]acetamide

2-(cyclopropylamino)-N-[2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]acetamide (PubChem CID 86784389) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]acetamide
PubChem CID86784389
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-(cyclopropylamino)-N-[2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]acetamide
SMILESCn1ccc(C(NC(=O)CNC2CC2)C(F)(F)F)c1
InChIInChI=1S/C12H16F3N3O/c1-18-5-4-8(7-18)11(12(13,14)15)17-10(19)6-16-9-2-3-9/h4-5,7,9,11,16H,2-3,6H2,1H3,(H,17,19)
InChIKeyAIZZRNVWIGKSSL-UHFFFAOYSA-N
XLogP1.50
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-2-(1H-pyrrol-1-yl)acetamide
CID 20880526
2,2,2-trifluoro-1-(1-methyl-1H-pyrrol-3-yl)ethan-1-amine
CID 71695547
N-(3-(3-fluorophenyl)-2-(1H-pyrrol-1-yl)propyl)acetamide
CID 71784676
2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 72873377
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-[[2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethyl]amino]acetamide
CID 127041867
N'-cyclopropyl-N-[2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 44059555
2-[3-(Dimethylamino)pyrrolidin-1-YL]-N-[(3-methylpyridin-4-YL)methyl]acetamide
CID 91778178
(6S)-4-[[1-(difluoromethyl)pyrrol-2-yl]methyl]-6-methylpiperazin-2-one
CID 164629442
(2R)-N-cyclopentyl-4,4,4-trifluoro-2-(1H-pyrrol-3-ylmethylamino)butanamide
CID 141284199
2-(dimethylamino)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302811
2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302812
3-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-1-carboxamide
CID 174944914

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]acetamide (CID 86784389) is 2-(cyclopropylamino)-N-[2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]acetamide is Cn1ccc(C(NC(=O)CNC2CC2)C(F)(F)F)c1.
What is the InChIKey of 2-(cyclopropylamino)-N-[2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]acetamide?
The InChIKey is AIZZRNVWIGKSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-18-5-4-8(7-18)11(12(13,14)15)17-10(19)6-16-9-2-3-9/h4-5,7,9,11,16H,2-3,6H2,1H3,(H,17,19).
What are the key properties of 2-(cyclopropylamino)-N-[2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]acetamide?
2-(cyclopropylamino)-N-[2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]acetamide has a molecular weight of 275.27 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]acetamide is sourced from PubChem (CID 86784389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).