(2S)-N-[1-(hydroxymethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenoxy]propanamide

C14H16F3NO3 — CID 99826146

IUPAC(2S)-N-[1-(hydroxymethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NC1(CO)CC1
InChIInChI=1S/C14H16F3NO3/c1-9(12(20)18-13(8-19)6-7-13)21-11-4-2-10(3-5-11)14(15,16)17/h2-5,9,19H,6-8H2,1H3,(H,18,20)/t9-/m0/s1
InChIKeyNHGMDQPRBQJHLW-VIFPVBQESA-N
MW303.28 g/mol
LogP2.11
Rot. Bonds5

About (2S)-N-[1-(hydroxymethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenoxy]propanamide

(2S)-N-[1-(hydroxymethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenoxy]propanamide (PubChem CID 99826146) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is (2S)-N-[1-(hydroxymethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-[1-(hydroxymethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenoxy]propanamide
PubChem CID99826146
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name(2S)-N-[1-(hydroxymethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NC1(CO)CC1
InChIInChI=1S/C14H16F3NO3/c1-9(12(20)18-13(8-19)6-7-13)21-11-4-2-10(3-5-11)14(15,16)17/h2-5,9,19H,6-8H2,1H3,(H,18,20)/t9-/m0/s1
InChIKeyNHGMDQPRBQJHLW-VIFPVBQESA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]-2-phenoxypropanamide
CID 62520197
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-phenoxypropanamide
CID 62527498
2-(3-fluorophenoxy)-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62522000
(2R)-N-(1-acetylazetidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 99824974
azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 162540820
(2R)-N-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 7467575
(2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 158170724
2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55504113
1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one
CID 60624061
methyl (4R)-3-oxo-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pentanoate
CID 13472766
methyl 1-[2-(4-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylate
CID 55572088
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(hydroxymethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of (2S)-N-[1-(hydroxymethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenoxy]propanamide (CID 99826146) is (2S)-N-[1-(hydroxymethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-[1-(hydroxymethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for (2S)-N-[1-(hydroxymethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenoxy]propanamide is C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NC1(CO)CC1.
What is the InChIKey of (2S)-N-[1-(hydroxymethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is NHGMDQPRBQJHLW-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-9(12(20)18-13(8-19)6-7-13)21-11-4-2-10(3-5-11)14(15,16)17/h2-5,9,19H,6-8H2,1H3,(H,18,20)/t9-/m0/s1.
What are the key properties of (2S)-N-[1-(hydroxymethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenoxy]propanamide?
(2S)-N-[1-(hydroxymethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 303.28 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(hydroxymethyl)cyclopropyl]-2-[4-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 99826146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).