2,4,5-trifluoro-3-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide

C16H13F3N2O2 — CID 75504991

IUPAC2,4,5-trifluoro-3-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide
SMILESO=C(NCC1(c2ccncc2)CC1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C16H13F3N2O2/c17-11-7-10(12(18)14(22)13(11)19)15(23)21-8-16(3-4-16)9-1-5-20-6-2-9/h1-2,5-7,22H,3-4,8H2,(H,21,23)
InChIKeyWWULRXDMWPCZGR-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.67
Rot. Bonds4

About 2,4,5-trifluoro-3-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide

2,4,5-trifluoro-3-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide (PubChem CID 75504991) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 2,4,5-trifluoro-3-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-3-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide
PubChem CID75504991
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name2,4,5-trifluoro-3-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide
SMILESO=C(NCC1(c2ccncc2)CC1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C16H13F3N2O2/c17-11-7-10(12(18)14(22)13(11)19)15(23)21-8-16(3-4-16)9-1-5-20-6-2-9/h1-2,5-7,22H,3-4,8H2,(H,21,23)
InChIKeyWWULRXDMWPCZGR-UHFFFAOYSA-N
XLogP2.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]pyridine-3-carboxamide
CID 75447154
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide
CID 110482056
4-(hydroxymethyl)-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide
CID 138034914
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 43501008
4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 126828456
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
CID 42265696
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide
CID 112835532
N-(cyanomethyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 55026463
1-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43341197
N-[(1-chlorocyclopentyl)methyl]-2,3,4,5-tetrafluorobenzamide
CID 166315439
N-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 60891445
2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 78891040

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-3-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide?
The IUPAC name of 2,4,5-trifluoro-3-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide (CID 75504991) is 2,4,5-trifluoro-3-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 2,4,5-trifluoro-3-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide?
The canonical SMILES for 2,4,5-trifluoro-3-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide is O=C(NCC1(c2ccncc2)CC1)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of 2,4,5-trifluoro-3-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide?
The InChIKey is WWULRXDMWPCZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c17-11-7-10(12(18)14(22)13(11)19)15(23)21-8-16(3-4-16)9-1-5-20-6-2-9/h1-2,5-7,22H,3-4,8H2,(H,21,23).
What are the key properties of 2,4,5-trifluoro-3-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide?
2,4,5-trifluoro-3-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide has a molecular weight of 322.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-3-hydroxy-N-[(1-pyridin-4-ylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 75504991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).