2-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide

C19H16F3N3O3 — CID 86916154

IUPAC2-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(NC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)c1cc2ccccc2o1
InChIInChI=1S/C19H16F3N3O3/c1-10(15-8-11-4-2-3-5-14(11)28-15)24-19(27)23-9-16(26)25-13-7-6-12(20)17(21)18(13)22/h2-8,10H,9H2,1H3,(H,25,26)(H2,23,24,27)
InChIKeyCUQZWGZTIKJMLW-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.85
Rot. Bonds5

About 2-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 86916154) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID86916154
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name2-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(NC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)c1cc2ccccc2o1
InChIInChI=1S/C19H16F3N3O3/c1-10(15-8-11-4-2-3-5-14(11)28-15)24-19(27)23-9-16(26)25-13-7-6-12(20)17(21)18(13)22/h2-8,10H,9H2,1H3,(H,25,26)(H2,23,24,27)
InChIKeyCUQZWGZTIKJMLW-UHFFFAOYSA-N
XLogP3.85
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.85
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-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] 1-benzofuran-2-carboxylate
CID 7194079
2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 41468828
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778
2-(3-acetamido-4-fluoroanilino)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 51932530
2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide
CID 4008216
2-[(4-methyl-4-phenylpentan-2-yl)carbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 60591570
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-bromo-4-methylphenyl)acetamide
CID 112801581
1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 110910012
2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide
CID 94056544
(E)-N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9368140
2-[[5-(1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 17019508
N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide
CID 47033511

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 86916154) is 2-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide is CC(NC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)c1cc2ccccc2o1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is CUQZWGZTIKJMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-10(15-8-11-4-2-3-5-14(11)28-15)24-19(27)23-9-16(26)25-13-7-6-12(20)17(21)18(13)22/h2-8,10H,9H2,1H3,(H,25,26)(H2,23,24,27).
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 391.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 86916154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).