4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide

C14H13F3N4O2 — CID 60507961

IUPAC4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide
SMILESO=C(NCCNc1nccc(C(F)(F)F)n1)c1ccc(O)cc1
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)11-5-6-19-13(21-11)20-8-7-18-12(23)9-1-3-10(22)4-2-9/h1-6,22H,7-8H2,(H,18,23)(H,19,20,21)
InChIKeyBKFLPLUMNGLWSX-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.04
Rot. Bonds5

About 4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide

4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide (PubChem CID 60507961) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide
PubChem CID60507961
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide
SMILESO=C(NCCNc1nccc(C(F)(F)F)n1)c1ccc(O)cc1
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)11-5-6-19-13(21-11)20-8-7-18-12(23)9-1-3-10(22)4-2-9/h1-6,22H,7-8H2,(H,18,23)(H,19,20,21)
InChIKeyBKFLPLUMNGLWSX-UHFFFAOYSA-N
XLogP2.04
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylcarbamoyl]benzoic acid
CID 3515621
2-(methylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride
CID 119708120
(2S)-2-amino-3,3-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]butanamide;hydrochloride
CID 119708124
2-amino-2-(4-methylphenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide
CID 120667053
2-methyl-1-propyl-3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]guanidine;hydroiodide
CID 111773683
N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine
CID 107323566
N-ethyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
CID 60732159
3-(2-aminophenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide;hydrochloride
CID 120608640
N-tert-butyl-2-[[N'-methyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111776179
4,4-dimethyl-6-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]hexanoic acid
CID 65285293
2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]acetamide
CID 103766936
N-(4-chlorobutyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 106845038

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide?
The IUPAC name of 4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide (CID 60507961) is 4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide is O=C(NCCNc1nccc(C(F)(F)F)n1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide?
The InChIKey is BKFLPLUMNGLWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c15-14(16,17)11-5-6-19-13(21-11)20-8-7-18-12(23)9-1-3-10(22)4-2-9/h1-6,22H,7-8H2,(H,18,23)(H,19,20,21).
What are the key properties of 4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide?
4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide has a molecular weight of 326.28 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 60507961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).