(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide

C11H13F3N2O2 — CID 68650128

IUPAC(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
SMILESCN[C@@H](C)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2/c1-7(15-2)10(17)16-8-4-3-5-9(6-8)18-11(12,13)14/h3-7,15H,1-2H3,(H,16,17)/t7-/m0/s1
InChIKeyXOPIPLBUUQHYMD-ZETCQYMHSA-N
MW262.23 g/mol
LogP2.13
Rot. Bonds4

About (2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide

(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide (PubChem CID 68650128) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
PubChem CID68650128
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
SMILESCN[C@@H](C)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O2/c1-7(15-2)10(17)16-8-4-3-5-9(6-8)18-11(12,13)14/h3-7,15H,1-2H3,(H,16,17)/t7-/m0/s1
InChIKeyXOPIPLBUUQHYMD-ZETCQYMHSA-N
XLogP2.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide
CID 62638211
2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide
CID 24691365
2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide
CID 43328961
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
(2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 135386298
3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 55824930
1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 94818397
2-amino-4-methoxy-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 62473347
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
1-(3-methylbutyl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 47201851
(2R)-2-amino-4-methylsulfanyl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 104906851

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide (CID 68650128) is (2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide is CN[C@@H](C)C(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of (2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is XOPIPLBUUQHYMD-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-7(15-2)10(17)16-8-4-3-5-9(6-8)18-11(12,13)14/h3-7,15H,1-2H3,(H,16,17)/t7-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide?
(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 262.23 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 68650128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).