N-ethyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzamide

C14H17F3N2O3 — CID 51725511

IUPACN-ethyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)[C@H](C)OCC(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O3/c1-3-18-13(21)10-5-4-6-11(7-10)19-12(20)9(2)22-8-14(15,16)17/h4-7,9H,3,8H2,1-2H3,(H,18,21)(H,19,20)/t9-/m0/s1
InChIKeyNAGCPMPKKOTOIU-VIFPVBQESA-N
MW318.30 g/mol
LogP2.34
Rot. Bonds6

About N-ethyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzamide

N-ethyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzamide (PubChem CID 51725511) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is N-ethyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzamide
PubChem CID51725511
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC NameN-ethyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)[C@H](C)OCC(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O3/c1-3-18-13(21)10-5-4-6-11(7-10)19-12(20)9(2)22-8-14(15,16)17/h4-7,9H,3,8H2,1-2H3,(H,18,21)(H,19,20)/t9-/m0/s1
InChIKeyNAGCPMPKKOTOIU-VIFPVBQESA-N
XLogP2.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943627
3-acetamido-N-ethylbenzamide
CID 17230670
(2R)-N-(3-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38925963
3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide
CID 103794052
4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide
CID 42960594
N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 16789668
3-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222669
(2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38938244
3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222714
N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38884944

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzamide (CID 51725511) is N-ethyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzamide is CCNC(=O)c1cccc(NC(=O)[C@H](C)OCC(F)(F)F)c1.
What is the InChIKey of N-ethyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzamide?
The InChIKey is NAGCPMPKKOTOIU-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-3-18-13(21)10-5-4-6-11(7-10)19-12(20)9(2)22-8-14(15,16)17/h4-7,9H,3,8H2,1-2H3,(H,18,21)(H,19,20)/t9-/m0/s1.
What are the key properties of N-ethyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzamide?
N-ethyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzamide has a molecular weight of 318.30 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 51725511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).