N-cyclopropyl-2,3-difluoro-N-[4-(2-hydroxyethyl)cyclohexyl]benzamide

C18H23F2NO2 — CID 24966476

IUPACN-cyclopropyl-2,3-difluoro-N-[4-(2-hydroxyethyl)cyclohexyl]benzamide
SMILESO=C(c1cccc(F)c1F)N(C1CCC(CCO)CC1)C1CC1
InChIInChI=1S/C18H23F2NO2/c19-16-3-1-2-15(17(16)20)18(23)21(14-8-9-14)13-6-4-12(5-7-13)10-11-22/h1-3,12-14,22H,4-11H2
InChIKeyDOIGTVSNPPUATG-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.51
Rot. Bonds5

About N-cyclopropyl-2,3-difluoro-N-[4-(2-hydroxyethyl)cyclohexyl]benzamide

N-cyclopropyl-2,3-difluoro-N-[4-(2-hydroxyethyl)cyclohexyl]benzamide (PubChem CID 24966476) has the molecular formula C18H23F2NO2 and a molecular weight of 323.38 g/mol. Its IUPAC name is N-cyclopropyl-2,3-difluoro-N-[4-(2-hydroxyethyl)cyclohexyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2,3-difluoro-N-[4-(2-hydroxyethyl)cyclohexyl]benzamide
PubChem CID24966476
Molecular FormulaC18H23F2NO2
Molecular Weight323.38 g/mol
Exact Mass323.17
IUPAC NameN-cyclopropyl-2,3-difluoro-N-[4-(2-hydroxyethyl)cyclohexyl]benzamide
SMILESO=C(c1cccc(F)c1F)N(C1CCC(CCO)CC1)C1CC1
InChIInChI=1S/C18H23F2NO2/c19-16-3-1-2-15(17(16)20)18(23)21(14-8-9-14)13-6-4-12(5-7-13)10-11-22/h1-3,12-14,22H,4-11H2
InChIKeyDOIGTVSNPPUATG-UHFFFAOYSA-N
XLogP3.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,3-difluoro-N-[4-(2-hydroxyethyl)cyclohexyl]benzamide?
The IUPAC name of N-cyclopropyl-2,3-difluoro-N-[4-(2-hydroxyethyl)cyclohexyl]benzamide (CID 24966476) is N-cyclopropyl-2,3-difluoro-N-[4-(2-hydroxyethyl)cyclohexyl]benzamide.
What is the SMILES notation for N-cyclopropyl-2,3-difluoro-N-[4-(2-hydroxyethyl)cyclohexyl]benzamide?
The canonical SMILES for N-cyclopropyl-2,3-difluoro-N-[4-(2-hydroxyethyl)cyclohexyl]benzamide is O=C(c1cccc(F)c1F)N(C1CCC(CCO)CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2,3-difluoro-N-[4-(2-hydroxyethyl)cyclohexyl]benzamide?
The InChIKey is DOIGTVSNPPUATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2NO2/c19-16-3-1-2-15(17(16)20)18(23)21(14-8-9-14)13-6-4-12(5-7-13)10-11-22/h1-3,12-14,22H,4-11H2.
What are the key properties of N-cyclopropyl-2,3-difluoro-N-[4-(2-hydroxyethyl)cyclohexyl]benzamide?
N-cyclopropyl-2,3-difluoro-N-[4-(2-hydroxyethyl)cyclohexyl]benzamide has a molecular weight of 323.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,3-difluoro-N-[4-(2-hydroxyethyl)cyclohexyl]benzamide is sourced from PubChem (CID 24966476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).