N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide

C14H16F3NO3 — CID 99850234

IUPACN-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1cccc(OC(F)(F)F)c1)NC[C@@H](O)C1CC1
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)21-11-3-1-2-9(6-11)7-13(20)18-8-12(19)10-4-5-10/h1-3,6,10,12,19H,4-5,7-8H2,(H,18,20)/t12-/m1/s1
InChIKeyRXUTYURRZWALAC-GFCCVEGCSA-N
MW303.28 g/mol
LogP2.01
Rot. Bonds6

About N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide

N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 99850234) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID99850234
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC NameN-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1cccc(OC(F)(F)F)c1)NC[C@@H](O)C1CC1
InChIInChI=1S/C14H16F3NO3/c15-14(16,17)21-11-3-1-2-9(6-11)7-13(20)18-8-12(19)10-4-5-10/h1-3,6,10,12,19H,4-5,7-8H2,(H,18,20)/t12-/m1/s1
InChIKeyRXUTYURRZWALAC-GFCCVEGCSA-N
XLogP2.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(trifluoromethoxy)phenyl]acetohydrazide
CID 142471729
N-(2-cyclopropyl-2-hydroxyethyl)-3-(3-methoxyphenyl)propanamide
CID 63294459
2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid
CID 107105253
1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 138381001
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 68701338
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide
CID 63294026
1-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 64503594
2-[3-(trifluoromethoxy)phenyl]-N-[6-[3-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
CID 123193328
N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide
CID 63767831
2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 29182663
1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 83306649
(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 86814419

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide (CID 99850234) is N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1cccc(OC(F)(F)F)c1)NC[C@@H](O)C1CC1.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is RXUTYURRZWALAC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16F3NO3/c15-14(16,17)21-11-3-1-2-9(6-11)7-13(20)18-8-12(19)10-4-5-10/h1-3,6,10,12,19H,4-5,7-8H2,(H,18,20)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 303.28 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 99850234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).