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

C14H17F3N2O2 — CID 106124653

IUPACN-[(4-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
SMILESNC1CCC(CNC(=O)c2cc(F)c(F)c(O)c2F)CC1
InChIInChI=1S/C14H17F3N2O2/c15-10-5-9(11(16)13(20)12(10)17)14(21)19-6-7-1-3-8(18)4-2-7/h5,7-8,20H,1-4,6,18H2,(H,19,21)
InChIKeyHYKFPDNTCWIHQP-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.06
Rot. Bonds3

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

N-[(4-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide (PubChem CID 106124653) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
PubChem CID106124653
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[(4-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
SMILESNC1CCC(CNC(=O)c2cc(F)c(F)c(O)c2F)CC1
InChIInChI=1S/C14H17F3N2O2/c15-10-5-9(11(16)13(20)12(10)17)14(21)19-6-7-1-3-8(18)4-2-7/h5,7-8,20H,1-4,6,18H2,(H,19,21)
InChIKeyHYKFPDNTCWIHQP-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-chlorocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106134004
N-[(2-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 64928415
N-[(4-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide
CID 106124628
N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 43501008
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide
CID 106124188
2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16793100
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methylbenzamide
CID 106124287
N-(cyanomethyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 55026463
(3-aminoazetidin-1-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 63755273
2,4,5-trifluoro-3-hydroxy-N-(2-methoxyethoxy)benzamide
CID 82722465
N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 106124578

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide (CID 106124653) is N-[(4-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide is NC1CCC(CNC(=O)c2cc(F)c(F)c(O)c2F)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide?
The InChIKey is HYKFPDNTCWIHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-10-5-9(11(16)13(20)12(10)17)14(21)19-6-7-1-3-8(18)4-2-7/h5,7-8,20H,1-4,6,18H2,(H,19,21).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide?
N-[(4-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-[(4-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide is sourced from PubChem (CID 106124653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).