5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide

C14H19FN2O2 — CID 106358647

IUPAC5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
SMILESNc1ccc(F)c(C(=O)NC2CCCCC2CO)c1
InChIInChI=1S/C14H19FN2O2/c15-12-6-5-10(16)7-11(12)14(19)17-13-4-2-1-3-9(13)8-18/h5-7,9,13,18H,1-4,8,16H2,(H,17,19)
InChIKeyPOCFTGYHEWEBEX-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.69
Rot. Bonds3

About 5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide

5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide (PubChem CID 106358647) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
PubChem CID106358647
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide
SMILESNc1ccc(F)c(C(=O)NC2CCCCC2CO)c1
InChIInChI=1S/C14H19FN2O2/c15-12-6-5-10(16)7-11(12)14(19)17-13-4-2-1-3-9(13)8-18/h5-7,9,13,18H,1-4,8,16H2,(H,17,19)
InChIKeyPOCFTGYHEWEBEX-UHFFFAOYSA-N
XLogP1.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.69
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

4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103951112
4-chloro-2,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103873963
2-(2-aminoethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106361498
2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103773984
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide
CID 106365784
5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82726014
2-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103860383
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607
2-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 114178387

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The IUPAC name of 5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide (CID 106358647) is 5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide is Nc1ccc(F)c(C(=O)NC2CCCCC2CO)c1.
What is the InChIKey of 5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
The InChIKey is POCFTGYHEWEBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-12-6-5-10(16)7-11(12)14(19)17-13-4-2-1-3-9(13)8-18/h5-7,9,13,18H,1-4,8,16H2,(H,17,19).
What are the key properties of 5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide?
5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide has a molecular weight of 266.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzamide is sourced from PubChem (CID 106358647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).