2-amino-4-fluoro-N-(3-hydroxycyclohexyl)benzamide

C13H17FN2O2 — CID 63110638

IUPAC2-amino-4-fluoro-N-(3-hydroxycyclohexyl)benzamide
SMILESNc1cc(F)ccc1C(=O)NC1CCCC(O)C1
InChIInChI=1S/C13H17FN2O2/c14-8-4-5-11(12(15)6-8)13(18)16-9-2-1-3-10(17)7-9/h4-6,9-10,17H,1-3,7,15H2,(H,16,18)
InChIKeyWNHYYOUPUSXJHP-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.44
Rot. Bonds2

About 2-amino-4-fluoro-N-(3-hydroxycyclohexyl)benzamide

2-amino-4-fluoro-N-(3-hydroxycyclohexyl)benzamide (PubChem CID 63110638) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(3-hydroxycyclohexyl)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(3-hydroxycyclohexyl)benzamide
PubChem CID63110638
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-amino-4-fluoro-N-(3-hydroxycyclohexyl)benzamide
SMILESNc1cc(F)ccc1C(=O)NC1CCCC(O)C1
InChIInChI=1S/C13H17FN2O2/c14-8-4-5-11(12(15)6-8)13(18)16-9-2-1-3-10(17)7-9/h4-6,9-10,17H,1-3,7,15H2,(H,16,18)
InChIKeyWNHYYOUPUSXJHP-UHFFFAOYSA-N
XLogP1.44
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.44
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-N-cycloheptyl-4-fluorobenzamide
CID 55139018
4-fluoro-N-(3-hydroxycyclohexyl)-2-iodobenzamide
CID 113225219
2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide
CID 62073290
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide
CID 63110662
2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide
CID 62073326
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide
CID 63110384
2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 114145929
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
2-amino-4-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82727863
3-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107013540
2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 63110102

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(3-hydroxycyclohexyl)benzamide?
The IUPAC name of 2-amino-4-fluoro-N-(3-hydroxycyclohexyl)benzamide (CID 63110638) is 2-amino-4-fluoro-N-(3-hydroxycyclohexyl)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(3-hydroxycyclohexyl)benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-(3-hydroxycyclohexyl)benzamide is Nc1cc(F)ccc1C(=O)NC1CCCC(O)C1.
What is the InChIKey of 2-amino-4-fluoro-N-(3-hydroxycyclohexyl)benzamide?
The InChIKey is WNHYYOUPUSXJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-8-4-5-11(12(15)6-8)13(18)16-9-2-1-3-10(17)7-9/h4-6,9-10,17H,1-3,7,15H2,(H,16,18).
What are the key properties of 2-amino-4-fluoro-N-(3-hydroxycyclohexyl)benzamide?
2-amino-4-fluoro-N-(3-hydroxycyclohexyl)benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.44, 2 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-(3-hydroxycyclohexyl)benzamide is sourced from PubChem (CID 63110638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).