4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

C18H17F3N2O3 — CID 41188273

IUPAC4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(OCC(N)=O)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c1-11(13-3-2-4-14(9-13)18(19,20)21)23-17(25)12-5-7-15(8-6-12)26-10-16(22)24/h2-9,11H,10H2,1H3,(H2,22,24)(H,23,25)/t11-/m0/s1
InChIKeyBINNKAHWMWAMEL-NSHDSACASA-N
MW366.34 g/mol
LogP3.06
Rot. Bonds6

About 4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 41188273) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID41188273
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(OCC(N)=O)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c1-11(13-3-2-4-14(9-13)18(19,20)21)23-17(25)12-5-7-15(8-6-12)26-10-16(22)24/h2-9,11H,10H2,1H3,(H2,22,24)(H,23,25)/t11-/m0/s1
InChIKeyBINNKAHWMWAMEL-NSHDSACASA-N
XLogP3.06
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17458520
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 51951220
2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41188622
6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 42936491
4-(2-amino-2-oxoethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 27886527
2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26010093
2-(4-ethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26010094
2-[3-[[[ethylamino-[1-[3-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]methyl]phenoxy]acetamide
CID 111984519
4-(tetrazol-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 41144986
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
4-(2-amino-2-oxoethoxy)-N-(1-thiophen-2-ylethyl)benzamide
CID 18110988
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853969

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (CID 41188273) is 4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is C[C@H](NC(=O)c1ccc(OCC(N)=O)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is BINNKAHWMWAMEL-NSHDSACASA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-11(13-3-2-4-14(9-13)18(19,20)21)23-17(25)12-5-7-15(8-6-12)26-10-16(22)24/h2-9,11H,10H2,1H3,(H2,22,24)(H,23,25)/t11-/m0/s1.
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 366.34 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 41188273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).