2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide

C11H11F3N2O — CID 60647160

IUPAC2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CNC1CC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H11F3N2O/c12-7-3-4-8(11(14)10(7)13)16-9(17)5-15-6-1-2-6/h3-4,6,15H,1-2,5H2,(H,16,17)
InChIKeyRPJHLBBGDYBEQO-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.79
Rot. Bonds4

About 2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide

2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 60647160) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID60647160
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CNC1CC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H11F3N2O/c12-7-3-4-8(11(14)10(7)13)16-9(17)5-15-6-1-2-6/h3-4,6,15H,1-2,5H2,(H,16,17)
InChIKeyRPJHLBBGDYBEQO-UHFFFAOYSA-N
XLogP1.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 9461038
3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109013773
3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide
CID 60841451
2-(cyclopropylamino)-N-(3,4-difluorophenyl)acetamide
CID 60647201
2-(cyclopentylamino)-N-(2-fluoro-4-methylphenyl)acetamide
CID 60648408
2-(cyclooctylamino)-N-(2,4-difluorophenyl)acetamide
CID 9265336
N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290
cyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 9265188
2-(cyclopentylamino)-N-(2,4-dichlorophenyl)acetamide
CID 9465920
N-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetamide
CID 103843641
methyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate
CID 60848172
4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid
CID 63187706

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide (CID 60647160) is 2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide is O=C(CNC1CC1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is RPJHLBBGDYBEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-7-3-4-8(11(14)10(7)13)16-9(17)5-15-6-1-2-6/h3-4,6,15H,1-2,5H2,(H,16,17).
What are the key properties of 2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide?
2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 244.22 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 60647160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).