2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide

C17H14F3N3O2 — CID 9348567

IUPAC2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc2ccccc2o1
InChIInChI=1S/C17H14F3N3O2/c1-23(9-15-22-11-4-2-3-5-13(11)25-15)8-14(24)21-12-7-6-10(18)16(19)17(12)20/h2-7H,8-9H2,1H3,(H,21,24)
InChIKeyKFGMGNLYGVIIIR-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.32
Rot. Bonds5

About 2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 9348567) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID9348567
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc2ccccc2o1
InChIInChI=1S/C17H14F3N3O2/c1-23(9-15-22-11-4-2-3-5-13(11)25-15)8-14(24)21-12-7-6-10(18)16(19)17(12)20/h2-7H,8-9H2,1H3,(H,21,24)
InChIKeyKFGMGNLYGVIIIR-UHFFFAOYSA-N
XLogP3.32
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-cyclopropylacetamide
CID 8910060
2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 62686094
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2698726
2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197970
2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4806660
2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2120375
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9034646
methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate
CID 47129086
2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
CID 9197701
2-[methyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2507646
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8551086
3-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)propanamide
CID 9403814

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 9348567) is 2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc2ccccc2o1.
What is the InChIKey of 2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is KFGMGNLYGVIIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-23(9-15-22-11-4-2-3-5-13(11)25-15)8-14(24)21-12-7-6-10(18)16(19)17(12)20/h2-7H,8-9H2,1H3,(H,21,24).
What are the key properties of 2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 349.31 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 9348567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).