N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide

C13H14F3NO3 — CID 71796851

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCC1(CO)CC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)20-10-3-1-9(2-4-10)11(19)17-7-12(8-18)5-6-12/h1-4,18H,5-8H2,(H,17,19)
InChIKeyRAHNRAOXRIGXIX-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.09
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 71796851) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide
PubChem CID71796851
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(NCC1(CO)CC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)20-10-3-1-9(2-4-10)11(19)17-7-12(8-18)5-6-12/h1-4,18H,5-8H2,(H,17,19)
InChIKeyRAHNRAOXRIGXIX-UHFFFAOYSA-N
XLogP2.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 80712294
4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313378
N-prop-2-enyl-4-(trifluoromethoxy)benzamide
CID 22616308
4-(carbamoylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80708473
3-hydroxy-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-iodobenzamide
CID 113434894
4-ethoxy-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114751099
6-[[4-(hydroxymethyl)oxan-4-yl]methylcarbamoyl]naphthalene-2-carboxylic acid
CID 167752625
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(methanesulfonamido)benzamide
CID 80717767
4-butyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80717510
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
4-(trifluoromethoxy)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.2]octanyl]benzamide
CID 175704864
N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide
CID 116629079

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide (CID 71796851) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide is O=C(NCC1(CO)CC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is RAHNRAOXRIGXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c14-13(15,16)20-10-3-1-9(2-4-10)11(19)17-7-12(8-18)5-6-12/h1-4,18H,5-8H2,(H,17,19).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 289.25 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 71796851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).