N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide

C14H17F3N2O2 — CID 64928415

IUPACN-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
SMILESNC1CCCCC1CNC(=O)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C14H17F3N2O2/c15-9-5-8(11(16)13(20)12(9)17)14(21)19-6-7-3-1-2-4-10(7)18/h5,7,10,20H,1-4,6,18H2,(H,19,21)
InChIKeyJRUZURQJEBACLW-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.06
Rot. Bonds3

About N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide

N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide (PubChem CID 64928415) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
PubChem CID64928415
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
SMILESNC1CCCCC1CNC(=O)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C14H17F3N2O2/c15-9-5-8(11(16)13(20)12(9)17)14(21)19-6-7-3-1-2-4-10(7)18/h5,7,10,20H,1-4,6,18H2,(H,19,21)
InChIKeyJRUZURQJEBACLW-UHFFFAOYSA-N
XLogP2.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.06
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-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106124653
N-[(2-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 79756556
N-[(4-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106134004
N-[(2-aminocyclohexyl)methyl]-2-fluoro-5-methylbenzamide
CID 64929794
N-[(2-aminocyclohexyl)methyl]-3,4-difluorobenzamide
CID 64928823
3-amino-2,5-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 107121147
N-[2-(bromomethyl)cyclopentyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106366436
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 43501008
N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide
CID 115737021
3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64910898
N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 76948281
N-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 64928625

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide (CID 64928415) is N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide is NC1CCCCC1CNC(=O)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide?
The InChIKey is JRUZURQJEBACLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-9-5-8(11(16)13(20)12(9)17)14(21)19-6-7-3-1-2-4-10(7)18/h5,7,10,20H,1-4,6,18H2,(H,19,21).
What are the key properties of N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide?
N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide has a molecular weight of 302.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide is sourced from PubChem (CID 64928415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).