2-fluoro-N-(4-hydroxycyclohexyl)-6-(2-methylpropanoylamino)benzamide

C17H23FN2O3 — CID 75364963

IUPAC2-fluoro-N-(4-hydroxycyclohexyl)-6-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1cccc(F)c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C17H23FN2O3/c1-10(2)16(22)20-14-5-3-4-13(18)15(14)17(23)19-11-6-8-12(21)9-7-11/h3-5,10-12,21H,6-9H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyWGJWPTCDRKWKDB-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.45
Rot. Bonds4

About 2-fluoro-N-(4-hydroxycyclohexyl)-6-(2-methylpropanoylamino)benzamide

2-fluoro-N-(4-hydroxycyclohexyl)-6-(2-methylpropanoylamino)benzamide (PubChem CID 75364963) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-fluoro-N-(4-hydroxycyclohexyl)-6-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-hydroxycyclohexyl)-6-(2-methylpropanoylamino)benzamide
PubChem CID75364963
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name2-fluoro-N-(4-hydroxycyclohexyl)-6-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1cccc(F)c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C17H23FN2O3/c1-10(2)16(22)20-14-5-3-4-13(18)15(14)17(23)19-11-6-8-12(21)9-7-11/h3-5,10-12,21H,6-9H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyWGJWPTCDRKWKDB-UHFFFAOYSA-N
XLogP2.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-hydroxycyclohexyl)-6-(2-methylpropanoylamino)benzamide?
The IUPAC name of 2-fluoro-N-(4-hydroxycyclohexyl)-6-(2-methylpropanoylamino)benzamide (CID 75364963) is 2-fluoro-N-(4-hydroxycyclohexyl)-6-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for 2-fluoro-N-(4-hydroxycyclohexyl)-6-(2-methylpropanoylamino)benzamide?
The canonical SMILES for 2-fluoro-N-(4-hydroxycyclohexyl)-6-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1cccc(F)c1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 2-fluoro-N-(4-hydroxycyclohexyl)-6-(2-methylpropanoylamino)benzamide?
The InChIKey is WGJWPTCDRKWKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-10(2)16(22)20-14-5-3-4-13(18)15(14)17(23)19-11-6-8-12(21)9-7-11/h3-5,10-12,21H,6-9H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 2-fluoro-N-(4-hydroxycyclohexyl)-6-(2-methylpropanoylamino)benzamide?
2-fluoro-N-(4-hydroxycyclohexyl)-6-(2-methylpropanoylamino)benzamide has a molecular weight of 322.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-hydroxycyclohexyl)-6-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 75364963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).