3-(2-aminoethoxy)-4-methoxy-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide

C17H18F3N3O3 — CID 126453153

IUPAC3-(2-aminoethoxy)-4-methoxy-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)cc1OCCN
InChIInChI=1S/C17H18F3N3O3/c1-25-13-6-5-11(10-14(13)26-9-7-21)16(24)23-15(17(18,19)20)12-4-2-3-8-22-12/h2-6,8,10,15H,7,9,21H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyBIQXQSFTBLOWLY-OAHLLOKOSA-N
MW369.34 g/mol
LogP2.46
Rot. Bonds7

About 3-(2-aminoethoxy)-4-methoxy-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide

3-(2-aminoethoxy)-4-methoxy-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide (PubChem CID 126453153) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-4-methoxy-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-4-methoxy-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide
PubChem CID126453153
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name3-(2-aminoethoxy)-4-methoxy-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)cc1OCCN
InChIInChI=1S/C17H18F3N3O3/c1-25-13-6-5-11(10-14(13)26-9-7-21)16(24)23-15(17(18,19)20)12-4-2-3-8-22-12/h2-6,8,10,15H,7,9,21H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyBIQXQSFTBLOWLY-OAHLLOKOSA-N
XLogP2.46
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-aminoethoxy)-4-methoxy-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide with MolForge

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Related Compounds

3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide
CID 56713606
2-[4-(2-aminoethoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]acetamide
CID 126428915
4-hexoxy-3-methoxy-N-(1-pyridin-2-ylethyl)benzamide
CID 55334786
3-methoxy-4-(2-methylpropoxy)-N-(1-pyridin-2-ylethyl)benzamide
CID 112758953
4-(1,2,4-triazol-4-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide
CID 99949555
1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 77083070
3,4-dimethoxy-N-[(1S)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide
CID 1321917
2-[2-methoxy-5-(1-pyridin-2-ylethylamino)phenoxy]ethanol
CID 43751475
3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide
CID 118771147
1-methyl-3-(2-methylpropyl)-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide
CID 97113329
(2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid
CID 120517382
1-methyl-3-(2-methylpropyl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyrazole-5-carboxamide
CID 97113328

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-4-methoxy-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide?
The IUPAC name of 3-(2-aminoethoxy)-4-methoxy-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide (CID 126453153) is 3-(2-aminoethoxy)-4-methoxy-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide.
What is the SMILES notation for 3-(2-aminoethoxy)-4-methoxy-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide?
The canonical SMILES for 3-(2-aminoethoxy)-4-methoxy-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide is COc1ccc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)cc1OCCN.
What is the InChIKey of 3-(2-aminoethoxy)-4-methoxy-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide?
The InChIKey is BIQXQSFTBLOWLY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-25-13-6-5-11(10-14(13)26-9-7-21)16(24)23-15(17(18,19)20)12-4-2-3-8-22-12/h2-6,8,10,15H,7,9,21H2,1H3,(H,23,24)/t15-/m1/s1.
What are the key properties of 3-(2-aminoethoxy)-4-methoxy-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide?
3-(2-aminoethoxy)-4-methoxy-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide has a molecular weight of 369.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-4-methoxy-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide is sourced from PubChem (CID 126453153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).