2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,3,4-trifluorophenyl)acetamide

C14H12F3N3O3 — CID 24534131

IUPAC2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN1C(=O)C2CCCN2C1=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H12F3N3O3/c15-7-3-4-8(12(17)11(7)16)18-10(21)6-20-13(22)9-2-1-5-19(9)14(20)23/h3-4,9H,1-2,5-6H2,(H,18,21)
InChIKeyMOWLQMMBWKGBDU-UHFFFAOYSA-N
MW327.26 g/mol
LogP1.47
Rot. Bonds3

About 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,3,4-trifluorophenyl)acetamide

2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 24534131) has the molecular formula C14H12F3N3O3 and a molecular weight of 327.26 g/mol. Its IUPAC name is 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID24534131
Molecular FormulaC14H12F3N3O3
Molecular Weight327.26 g/mol
Exact Mass327.08
IUPAC Name2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN1C(=O)C2CCCN2C1=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H12F3N3O3/c15-7-3-4-8(12(17)11(7)16)18-10(21)6-20-13(22)9-2-1-5-19(9)14(20)23/h3-4,9H,1-2,5-6H2,(H,18,21)
InChIKeyMOWLQMMBWKGBDU-UHFFFAOYSA-N
XLogP1.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide
CID 24534157
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2654454
2-[(7aR)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2-cyanophenyl)acetamide
CID 41103574
methyl 4-[[2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetyl]amino]benzoate
CID 24534137
N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)acetamide
CID 24534092
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 11931084
2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 24534154
N-(2,4-difluorophenyl)-2-(3-fluoro-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)acetamide
CID 53200618
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 2678790
2-[(7aS)-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 27941827
2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 41077132
2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 60647160

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,3,4-trifluorophenyl)acetamide (CID 24534131) is 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,3,4-trifluorophenyl)acetamide is O=C(CN1C(=O)C2CCCN2C1=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is MOWLQMMBWKGBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3/c15-7-3-4-8(12(17)11(7)16)18-10(21)6-20-13(22)9-2-1-5-19(9)14(20)23/h3-4,9H,1-2,5-6H2,(H,18,21).
What are the key properties of 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,3,4-trifluorophenyl)acetamide?
2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 327.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 24534131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).