N-(2,3,4-trifluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide

C20H22F3N3O3 — CID 55738014

IUPACN-(2,3,4-trifluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H22F3N3O3/c1-10-6-11-14(7-20(2,3)8-15(11)29-10)26-19(28)24-9-16(27)25-13-5-4-12(21)17(22)18(13)23/h4-6,14H,7-9H2,1-3H3,(H,25,27)(H2,24,26,28)
InChIKeyKIATVWGWORIJQX-UHFFFAOYSA-N
MW409.41 g/mol
LogP3.96
Rot. Bonds4

About N-(2,3,4-trifluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide

N-(2,3,4-trifluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide (PubChem CID 55738014) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-(2,3,4-trifluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-(2,3,4-trifluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide
PubChem CID55738014
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC NameN-(2,3,4-trifluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H22F3N3O3/c1-10-6-11-14(7-20(2,3)8-15(11)29-10)26-19(28)24-9-16(27)25-13-5-4-12(21)17(22)18(13)23/h4-6,14H,7-9H2,1-3H3,(H,25,27)(H2,24,26,28)
InChIKeyKIATVWGWORIJQX-UHFFFAOYSA-N
XLogP3.96
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,3,4-trifluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4-trifluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide?
The IUPAC name of N-(2,3,4-trifluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide (CID 55738014) is N-(2,3,4-trifluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide.
What is the SMILES notation for N-(2,3,4-trifluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide?
The canonical SMILES for N-(2,3,4-trifluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide is Cc1cc2c(o1)CC(C)(C)CC2NC(=O)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-(2,3,4-trifluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide?
The InChIKey is KIATVWGWORIJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c1-10-6-11-14(7-20(2,3)8-15(11)29-10)26-19(28)24-9-16(27)25-13-5-4-12(21)17(22)18(13)23/h4-6,14H,7-9H2,1-3H3,(H,25,27)(H2,24,26,28).
What are the key properties of N-(2,3,4-trifluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide?
N-(2,3,4-trifluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide has a molecular weight of 409.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4-trifluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide is sourced from PubChem (CID 55738014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).