N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)acetamide

C12H13F3N2O2 — CID 178148394

IUPACN-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)acetamide
SMILES[H]/N=C(/c1ccc(O)cc1)N(CCC(F)(F)F)C(C)=O
InChIInChI=1S/C12H13F3N2O2/c1-8(18)17(7-6-12(13,14)15)11(16)9-2-4-10(19)5-3-9/h2-5,16,19H,6-7H2,1H3/b16-11-
InChIKeyVYEYSESAPKDYEN-WJDWOHSUSA-N
MW274.24 g/mol
LogP2.52
Rot. Bonds3

About N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)acetamide

N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 178148394) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID178148394
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC NameN-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)acetamide
SMILES[H]/N=C(/c1ccc(O)cc1)N(CCC(F)(F)F)C(C)=O
InChIInChI=1S/C12H13F3N2O2/c1-8(18)17(7-6-12(13,14)15)11(16)9-2-4-10(19)5-3-9/h2-5,16,19H,6-7H2,1H3/b16-11-
InChIKeyVYEYSESAPKDYEN-WJDWOHSUSA-N
XLogP2.52
TPSA64.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(4-hydroxyphenyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
CID 137298638
4-hydroxy-2-(4-hydroxyphenyl)-5-methyl-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
CID 137298641
1-methyl-2-(4-hydroxyphenyl)-1H-imidazoline
CID 135675019
Acetamide, 2,2,2-trifluoro-N-[(4-hydroxyphenyl)methyl]-
CID 57656322
N-[(3-fluoro-4-hydroxyphenyl)methyl]acetamide
CID 130962578
2-(4-Oxocyclohexa-2,5-dien-1-ylidene)-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one
CID 136272606
N-[3-(5-carbamimidoyl-2-hydroxyphenyl)propyl]-2,2,2-trifluoroacetamide
CID 136473437
2-Fluoro-4-(pyrrolidine-1-carboximidoyl)phenol
CID 136609885
2-(3,5-Difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide
CID 170593007
2-fluoro-N-[(4-hydroxyphenyl)methyl]acetamide
CID 172744538
N-[3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-2,2,2-trifluoroacetamide
CID 173219371
4-amino-5,5,5-trifluoro-N-[(2-fluoro-4-hydroxyphenyl)methyl]-2-imino-N-(3,3,3-trifluoropropyl)pent-3-enamide
CID 173705865

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)acetamide (CID 178148394) is N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)acetamide is [H]/N=C(/c1ccc(O)cc1)N(CCC(F)(F)F)C(C)=O.
What is the InChIKey of N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is VYEYSESAPKDYEN-WJDWOHSUSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-8(18)17(7-6-12(13,14)15)11(16)9-2-4-10(19)5-3-9/h2-5,16,19H,6-7H2,1H3/b16-11-.
What are the key properties of N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)acetamide?
N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 274.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 178148394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).