N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide

C14H19F3N2O2 — CID 115309822

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C14H19F3N2O2/c1-7(2)5-14(3,6-18)19-13(21)8-4-9(15)11(17)12(20)10(8)16/h4,7,20H,5-6,18H2,1-3H3,(H,19,21)
InChIKeyNDJQBRWKBJQYPW-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.30
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide (PubChem CID 115309822) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
PubChem CID115309822
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C14H19F3N2O2/c1-7(2)5-14(3,6-18)19-13(21)8-4-9(15)11(17)12(20)10(8)16/h4,7,20H,5-6,18H2,1-3H3,(H,19,21)
InChIKeyNDJQBRWKBJQYPW-UHFFFAOYSA-N
XLogP2.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-difluoro-2-iodobenzamide;hydrochloride
CID 119598136
N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dihydroxybenzamide
CID 107725269
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide
CID 81486385
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
N-(1-aminopropan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 63731123
N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 119599272
N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride
CID 119600052
N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide
CID 104872338
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 81486078
N-(2-cyanobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 61120957
N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-iodobenzamide
CID 103807187
N-(4-amino-2,2-dimethylbutyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 106140043

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide (CID 115309822) is N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide is CC(C)CC(C)(CN)NC(=O)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide?
The InChIKey is NDJQBRWKBJQYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-7(2)5-14(3,6-18)19-13(21)8-4-9(15)11(17)12(20)10(8)16/h4,7,20H,5-6,18H2,1-3H3,(H,19,21).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide has a molecular weight of 304.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide is sourced from PubChem (CID 115309822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).