N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide

C11H12F3N3O3 — CID 76934546

IUPACN-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESCC(CC(N)=NO)NC(=O)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C11H12F3N3O3/c1-4(2-7(15)17-20)16-11(19)5-3-6(12)9(14)10(18)8(5)13/h3-4,18,20H,2H2,1H3,(H2,15,17)(H,16,19)
InChIKeyKWRFBDMAZQGTDQ-UHFFFAOYSA-N
MW291.23 g/mol
LogP1.06
Rot. Bonds4

About N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide

N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide (PubChem CID 76934546) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
PubChem CID76934546
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC NameN-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESCC(CC(N)=NO)NC(=O)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C11H12F3N3O3/c1-4(2-7(15)17-20)16-11(19)5-3-6(12)9(14)10(18)8(5)13/h3-4,18,20H,2H2,1H3,(H2,15,17)(H,16,19)
InChIKeyKWRFBDMAZQGTDQ-UHFFFAOYSA-N
XLogP1.06
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminopropan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 63731123
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
CID 76987520
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,6-trifluorobenzamide
CID 77056022
N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 76948281
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide
CID 107725624
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,5-dichlorothiophene-3-carboxamide
CID 107965162
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 76934560
2-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]butanoic acid
CID 43469590
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,3-dimethylbenzamide
CID 76934608
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 115309822
(2S)-2-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]hexanoic acid
CID 107144807
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,5-dimethoxybenzamide
CID 76934750

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide (CID 76934546) is N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide is CC(CC(N)=NO)NC(=O)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide?
The InChIKey is KWRFBDMAZQGTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c1-4(2-7(15)17-20)16-11(19)5-3-6(12)9(14)10(18)8(5)13/h3-4,18,20H,2H2,1H3,(H2,15,17)(H,16,19).
What are the key properties of N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide?
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide has a molecular weight of 291.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide is sourced from PubChem (CID 76934546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).