N-hydroxy-1,1-dimethyl-2-[3-(trifluoromethyl)benzoyl]-3H-isoindole-4-carboxamide

C19H17F3N2O3 — CID 146201044

IUPACN-hydroxy-1,1-dimethyl-2-[3-(trifluoromethyl)benzoyl]-3H-isoindole-4-carboxamide
SMILESCC1(C)c2cccc(C(=O)NO)c2CN1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O3/c1-18(2)15-8-4-7-13(16(25)23-27)14(15)10-24(18)17(26)11-5-3-6-12(9-11)19(20,21)22/h3-9,27H,10H2,1-2H3,(H,23,25)
InChIKeyBFZBZULDMHHZCS-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.72
Rot. Bonds2

About N-hydroxy-1,1-dimethyl-2-[3-(trifluoromethyl)benzoyl]-3H-isoindole-4-carboxamide

N-hydroxy-1,1-dimethyl-2-[3-(trifluoromethyl)benzoyl]-3H-isoindole-4-carboxamide (PubChem CID 146201044) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-hydroxy-1,1-dimethyl-2-[3-(trifluoromethyl)benzoyl]-3H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1,1-dimethyl-2-[3-(trifluoromethyl)benzoyl]-3H-isoindole-4-carboxamide
PubChem CID146201044
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC NameN-hydroxy-1,1-dimethyl-2-[3-(trifluoromethyl)benzoyl]-3H-isoindole-4-carboxamide
SMILESCC1(C)c2cccc(C(=O)NO)c2CN1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O3/c1-18(2)15-8-4-7-13(16(25)23-27)14(15)10-24(18)17(26)11-5-3-6-12(9-11)19(20,21)22/h3-9,27H,10H2,1-2H3,(H,23,25)
InChIKeyBFZBZULDMHHZCS-UHFFFAOYSA-N
XLogP3.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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2-[4-[Benzyl(methyl)amino]butyl]isoindole-1,3-dione
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(1S,10bR)-1-methyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino[2,1-a]isoindol-6(2H)-one
CID 16115381
(1S,10bR)-1-ethyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino[2,1-a]isoindol-6(2H)-one
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CID 24758504

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1,1-dimethyl-2-[3-(trifluoromethyl)benzoyl]-3H-isoindole-4-carboxamide?
The IUPAC name of N-hydroxy-1,1-dimethyl-2-[3-(trifluoromethyl)benzoyl]-3H-isoindole-4-carboxamide (CID 146201044) is N-hydroxy-1,1-dimethyl-2-[3-(trifluoromethyl)benzoyl]-3H-isoindole-4-carboxamide.
What is the SMILES notation for N-hydroxy-1,1-dimethyl-2-[3-(trifluoromethyl)benzoyl]-3H-isoindole-4-carboxamide?
The canonical SMILES for N-hydroxy-1,1-dimethyl-2-[3-(trifluoromethyl)benzoyl]-3H-isoindole-4-carboxamide is CC1(C)c2cccc(C(=O)NO)c2CN1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-hydroxy-1,1-dimethyl-2-[3-(trifluoromethyl)benzoyl]-3H-isoindole-4-carboxamide?
The InChIKey is BFZBZULDMHHZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-18(2)15-8-4-7-13(16(25)23-27)14(15)10-24(18)17(26)11-5-3-6-12(9-11)19(20,21)22/h3-9,27H,10H2,1-2H3,(H,23,25).
What are the key properties of N-hydroxy-1,1-dimethyl-2-[3-(trifluoromethyl)benzoyl]-3H-isoindole-4-carboxamide?
N-hydroxy-1,1-dimethyl-2-[3-(trifluoromethyl)benzoyl]-3H-isoindole-4-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1,1-dimethyl-2-[3-(trifluoromethyl)benzoyl]-3H-isoindole-4-carboxamide is sourced from PubChem (CID 146201044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).