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

C10H11F3N2O2 — CID 63731123

IUPACN-(1-aminopropan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESCC(CN)NC(=O)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C10H11F3N2O2/c1-4(3-14)15-10(17)5-2-6(11)8(13)9(16)7(5)12/h2,4,16H,3,14H2,1H3,(H,15,17)
InChIKeyVMGGACCMICQXHM-UHFFFAOYSA-N
MW248.20 g/mol
LogP0.89
Rot. Bonds3

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

N-(1-aminopropan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide (PubChem CID 63731123) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
PubChem CID63731123
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC NameN-(1-aminopropan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESCC(CN)NC(=O)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C10H11F3N2O2/c1-4(3-14)15-10(17)5-2-6(11)8(13)9(16)7(5)12/h2,4,16H,3,14H2,1H3,(H,15,17)
InChIKeyVMGGACCMICQXHM-UHFFFAOYSA-N
XLogP0.89
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 50.89
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-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 76934546
2-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]butanoic acid
CID 43469590
N-[(2R)-1-aminopropan-2-yl]-5-chloro-2-fluorobenzamide
CID 104873078
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 115309822
2,4,5-trifluoro-3-hydroxy-N-(1-hydroxypentan-3-yl)benzamide
CID 104580624
2,4,5-trifluoro-3-hydroxy-N-(2-methoxyethoxy)benzamide
CID 82722465
(2R)-3,3-dimethyl-2-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]butanoic acid
CID 103926890
N-[(2S)-1-aminopropan-2-yl]-4-chloro-2-fluorobenzamide;hydrochloride
CID 120508532
N-(4-amino-2,2-dimethylbutyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 106140043
2,4,5-trifluoro-N-hex-5-yn-3-yl-3-hydroxybenzamide
CID 104580561
(2S)-2-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]hexanoic acid
CID 107144807

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide (CID 63731123) is N-(1-aminopropan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide is CC(CN)NC(=O)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of N-(1-aminopropan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide?
The InChIKey is VMGGACCMICQXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-4(3-14)15-10(17)5-2-6(11)8(13)9(16)7(5)12/h2,4,16H,3,14H2,1H3,(H,15,17).
What are the key properties of N-(1-aminopropan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide?
N-(1-aminopropan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide has a molecular weight of 248.20 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide is sourced from PubChem (CID 63731123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).