2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide

C15H21FN2O2 — CID 63110502

IUPAC2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
SMILESCC1CCC(CO)(NC(=O)c2ccc(F)cc2N)CC1
InChIInChI=1S/C15H21FN2O2/c1-10-4-6-15(9-19,7-5-10)18-14(20)12-3-2-11(16)8-13(12)17/h2-3,8,10,19H,4-7,9,17H2,1H3,(H,18,20)
InChIKeyGZOGVDJTJMGPCL-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.08
Rot. Bonds3

About 2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide

2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide (PubChem CID 63110502) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
PubChem CID63110502
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
SMILESCC1CCC(CO)(NC(=O)c2ccc(F)cc2N)CC1
InChIInChI=1S/C15H21FN2O2/c1-10-4-6-15(9-19,7-5-10)18-14(20)12-3-2-11(16)8-13(12)17/h2-3,8,10,19H,4-7,9,17H2,1H3,(H,18,20)
InChIKeyGZOGVDJTJMGPCL-UHFFFAOYSA-N
XLogP2.08
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.08
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

2,4-diamino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527081
4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 104630770
2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527087
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 62527243
N-[1-(chloromethyl)-4-methylcyclohexyl]-2,4-difluorobenzamide
CID 114304359
N-[1-(bromomethyl)-4-methylcyclohexyl]-2-chloro-4-fluorobenzamide
CID 114314847
N-[1-(bromomethyl)-4-methylcyclohexyl]-2,5-difluorobenzamide
CID 114315081
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62525620
2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62526979
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 82883323
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 62525597
4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide
CID 104782857

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
The IUPAC name of 2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide (CID 63110502) is 2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide is CC1CCC(CO)(NC(=O)c2ccc(F)cc2N)CC1.
What is the InChIKey of 2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
The InChIKey is GZOGVDJTJMGPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-4-6-15(9-19,7-5-10)18-14(20)12-3-2-11(16)8-13(12)17/h2-3,8,10,19H,4-7,9,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide has a molecular weight of 280.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide is sourced from PubChem (CID 63110502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).