N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide

C19H19F3N2O3 — CID 55712296

IUPACN-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NCc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O3/c1-13(24-18(26)15-7-3-2-4-8-15)17(25)23-11-14-6-5-9-16(10-14)27-12-19(20,21)22/h2-10,13H,11-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyGPBKQKQOVZKIBG-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.06
Rot. Bonds7

About N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide

N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide (PubChem CID 55712296) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide
PubChem CID55712296
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC NameN-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NCc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O3/c1-13(24-18(26)15-7-3-2-4-8-15)17(25)23-11-14-6-5-9-16(10-14)27-12-19(20,21)22/h2-10,13H,11-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyGPBKQKQOVZKIBG-UHFFFAOYSA-N
XLogP3.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-3-phenyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119712578
N-[1-(benzylamino)-1-oxopropan-2-yl]-4-phenoxybenzamide
CID 60571476
4-methylsulfanyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 78875500
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 87005494
4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 42908391
1-(4-hydroxy-3-methylbutan-2-yl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 111454340
2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid
CID 119246914
2-methyl-1-(3-methylbutan-2-yl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111000265
1-[2-(2-methoxyethoxy)phenyl]-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 86841804
N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 86919506
tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate
CID 58686888
3-(benzylsulfamoyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55712150

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide?
The IUPAC name of N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide (CID 55712296) is N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide.
What is the SMILES notation for N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide?
The canonical SMILES for N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)NCc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide?
The InChIKey is GPBKQKQOVZKIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-13(24-18(26)15-7-3-2-4-8-15)17(25)23-11-14-6-5-9-16(10-14)27-12-19(20,21)22/h2-10,13H,11-12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide?
N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide has a molecular weight of 380.37 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide is sourced from PubChem (CID 55712296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).