3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide

C14H18F2N2O2 — CID 79773461

IUPAC3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
SMILESNc1ccc(F)c(C(=O)NCC2CCCCC2O)c1F
InChIInChI=1S/C14H18F2N2O2/c15-9-5-6-10(17)13(16)12(9)14(20)18-7-8-3-1-2-4-11(8)19/h5-6,8,11,19H,1-4,7,17H2,(H,18,20)
InChIKeySPPHXZTXAAFFQY-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.83
Rot. Bonds3

About 3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide

3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide (PubChem CID 79773461) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
PubChem CID79773461
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
SMILESNc1ccc(F)c(C(=O)NCC2CCCCC2O)c1F
InChIInChI=1S/C14H18F2N2O2/c15-9-5-6-10(17)13(16)12(9)14(20)18-7-8-3-1-2-4-11(8)19/h5-6,8,11,19H,1-4,7,17H2,(H,18,20)
InChIKeySPPHXZTXAAFFQY-UHFFFAOYSA-N
XLogP1.83
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide
CID 99855973
3-amino-N-(cyclohexylmethyl)-2,6-difluorobenzamide
CID 79773789
3-amino-2,5-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 107121147
3-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-2,6-difluorobenzamide
CID 81041559
3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79772907
3-amino-2,6-difluoro-N-(oxan-3-ylmethyl)benzamide
CID 79773802
3-amino-N-cyclopentyl-2,6-difluorobenzamide
CID 79768023
2-fluoro-N-[(2-hydroxycyclohexyl)methyl]-6-methoxybenzamide
CID 65433466
3-amino-2,6-difluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 79772902
3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64910898
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide
CID 79759421
2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64928717

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide (CID 79773461) is 3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide is Nc1ccc(F)c(C(=O)NCC2CCCCC2O)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is SPPHXZTXAAFFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-9-5-6-10(17)13(16)12(9)14(20)18-7-8-3-1-2-4-11(8)19/h5-6,8,11,19H,1-4,7,17H2,(H,18,20).
What are the key properties of 3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide?
3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 284.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 79773461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).