2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide

C13H14F3N3O2 — CID 9461038

IUPAC2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
SMILESO=C(CNC1CC1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H14F3N3O2/c14-8-3-4-9(13(16)12(8)15)19-11(21)6-18-10(20)5-17-7-1-2-7/h3-4,7,17H,1-2,5-6H2,(H,18,20)(H,19,21)
InChIKeyCNVBNAUXDLIQEP-UHFFFAOYSA-N
MW301.27 g/mol
LogP0.91
Rot. Bonds6

About 2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide

2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide (PubChem CID 9461038) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
PubChem CID9461038
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
SMILESO=C(CNC1CC1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H14F3N3O2/c14-8-3-4-9(13(16)12(8)15)19-11(21)6-18-10(20)5-17-7-1-2-7/h3-4,7,17H,1-2,5-6H2,(H,18,20)(H,19,21)
InChIKeyCNVBNAUXDLIQEP-UHFFFAOYSA-N
XLogP0.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 60647160
cyclooctyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 9265188
3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109013773
N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide
CID 55648350
2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 111430472
methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidin-1-ium-4-carboxylate
CID 8741883
cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 8905793
3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide
CID 60841451
methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate
CID 8741884
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 46633419
trans-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 11915717
2-(cyclopropylamino)-N-(3,4-difluorophenyl)acetamide
CID 60647201

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide (CID 9461038) is 2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide is O=C(CNC1CC1)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
The InChIKey is CNVBNAUXDLIQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c14-8-3-4-9(13(16)12(8)15)19-11(21)6-18-10(20)5-17-7-1-2-7/h3-4,7,17H,1-2,5-6H2,(H,18,20)(H,19,21).
What are the key properties of 2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide?
2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide has a molecular weight of 301.27 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide is sourced from PubChem (CID 9461038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).