N-cyclopropyl-3-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide

C23H27FN2O2 — CID 24965765

IUPACN-cyclopropyl-3-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide
SMILESO=C(c1cccc(F)c1)N(C1CC1)C1CCC(CCO)(c2ccccn2)CC1
InChIInChI=1S/C23H27FN2O2/c24-18-5-3-4-17(16-18)22(28)26(19-7-8-19)20-9-11-23(12-10-20,13-15-27)21-6-1-2-14-25-21/h1-6,14,16,19-20,27H,7-13,15H2
InChIKeyRPTWPAZINVNZRW-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.09
Rot. Bonds6

About N-cyclopropyl-3-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide

N-cyclopropyl-3-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide (PubChem CID 24965765) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide
PubChem CID24965765
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC NameN-cyclopropyl-3-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide
SMILESO=C(c1cccc(F)c1)N(C1CC1)C1CCC(CCO)(c2ccccn2)CC1
InChIInChI=1S/C23H27FN2O2/c24-18-5-3-4-17(16-18)22(28)26(19-7-8-19)20-9-11-23(12-10-20,13-15-27)21-6-1-2-14-25-21/h1-6,14,16,19-20,27H,7-13,15H2
InChIKeyRPTWPAZINVNZRW-UHFFFAOYSA-N
XLogP4.09
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide (CID 24965765) is N-cyclopropyl-3-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide is O=C(c1cccc(F)c1)N(C1CC1)C1CCC(CCO)(c2ccccn2)CC1.
What is the InChIKey of N-cyclopropyl-3-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide?
The InChIKey is RPTWPAZINVNZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c24-18-5-3-4-17(16-18)22(28)26(19-7-8-19)20-9-11-23(12-10-20,13-15-27)21-6-1-2-14-25-21/h1-6,14,16,19-20,27H,7-13,15H2.
What are the key properties of N-cyclopropyl-3-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide?
N-cyclopropyl-3-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide has a molecular weight of 382.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide is sourced from PubChem (CID 24965765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).