2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide

C15H20F2N2O2 — CID 62527087

IUPAC2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
SMILESCC1CCC(CO)(NC(=O)c2cc(F)c(F)cc2N)CC1
InChIInChI=1S/C15H20F2N2O2/c1-9-2-4-15(8-20,5-3-9)19-14(21)10-6-11(16)12(17)7-13(10)18/h6-7,9,20H,2-5,8,18H2,1H3,(H,19,21)
InChIKeyXBDXESMYZUACKU-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.22
Rot. Bonds3

About 2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide

2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide (PubChem CID 62527087) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
PubChem CID62527087
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
SMILESCC1CCC(CO)(NC(=O)c2cc(F)c(F)cc2N)CC1
InChIInChI=1S/C15H20F2N2O2/c1-9-2-4-15(8-20,5-3-9)19-14(21)10-6-11(16)12(17)7-13(10)18/h6-7,9,20H,2-5,8,18H2,1H3,(H,19,21)
InChIKeyXBDXESMYZUACKU-UHFFFAOYSA-N
XLogP2.22
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.22
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-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 63110502
2-amino-4,5-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106296686
2,4-diamino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527081
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 62527243
4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 104630770
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 82883323
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 62525597
5-chloro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527703
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide
CID 62526454
2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62526979
4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide
CID 104782857
4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527504

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
The IUPAC name of 2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide (CID 62527087) is 2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide.
What is the SMILES notation for 2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
The canonical SMILES for 2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide is CC1CCC(CO)(NC(=O)c2cc(F)c(F)cc2N)CC1.
What is the InChIKey of 2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
The InChIKey is XBDXESMYZUACKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-9-2-4-15(8-20,5-3-9)19-14(21)10-6-11(16)12(17)7-13(10)18/h6-7,9,20H,2-5,8,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide has a molecular weight of 298.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide is sourced from PubChem (CID 62527087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).