5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide

C13H17FN2O2 — CID 118939356

IUPAC5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide
SMILESNC(=O)c1cc(F)ccc1NC1CCC(O)CC1
InChIInChI=1S/C13H17FN2O2/c14-8-1-6-12(11(7-8)13(15)18)16-9-2-4-10(17)5-3-9/h1,6-7,9-10,16-17H,2-5H2,(H2,15,18)
InChIKeyWQNHDZLJEBNNDZ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.64
Rot. Bonds3

About 5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide

5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide (PubChem CID 118939356) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide.

Molecular Properties

Compound Name5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide
PubChem CID118939356
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide
SMILESNC(=O)c1cc(F)ccc1NC1CCC(O)CC1
InChIInChI=1S/C13H17FN2O2/c14-8-1-6-12(11(7-8)13(15)18)16-9-2-4-10(17)5-3-9/h1,6-7,9-10,16-17H,2-5H2,(H2,15,18)
InChIKeyWQNHDZLJEBNNDZ-UHFFFAOYSA-N
XLogP1.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-(2-carbamoyl-4-fluoroanilino)cyclopentane-1-carboxylic acid
CID 106322091
2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide
CID 141015249
methyl 2-(cyclopropylamino)-5-fluorobenzoate
CID 103439096
5-fluoro-2-[(4-methylcyclohexyl)amino]benzenecarbothioamide
CID 63673517
5-(2-cyclopentylethynyl)-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 166636388
2-(5-azaspiro[3.5]nonan-8-ylamino)-5-fluorobenzamide
CID 63673634
2-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-5-fluorobenzamide
CID 66212922
2-(cyclopropylamino)benzamide
CID 119089293
tert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
CID 107240717
5-fluoro-2-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101996
5-amino-2-[(4-ethylcyclohexyl)amino]benzamide
CID 61468335
methyl 5-fluoro-2-(oxan-4-ylamino)benzoate
CID 43735443

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide?
The IUPAC name of 5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide (CID 118939356) is 5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide.
What is the SMILES notation for 5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide?
The canonical SMILES for 5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide is NC(=O)c1cc(F)ccc1NC1CCC(O)CC1.
What is the InChIKey of 5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide?
The InChIKey is WQNHDZLJEBNNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-8-1-6-12(11(7-8)13(15)18)16-9-2-4-10(17)5-3-9/h1,6-7,9-10,16-17H,2-5H2,(H2,15,18).
What are the key properties of 5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide?
5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide is sourced from PubChem (CID 118939356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).