N-cyclopropyl-4-(2-fluoro-6-hydroxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide

C24H23FN2O2 — CID 149221040

IUPACN-cyclopropyl-4-(2-fluoro-6-hydroxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
SMILESO=C(c1ccc(-c2c(O)cccc2F)cc1)N(C1CC1)C1CCC2=C(C=NC2)C1
InChIInChI=1S/C24H23FN2O2/c25-21-2-1-3-22(28)23(21)15-4-6-16(7-5-15)24(29)27(19-10-11-19)20-9-8-17-13-26-14-18(17)12-20/h1-7,14,19-20,28H,8-13H2
InChIKeyXILNPIGRGVPJKC-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.74
Rot. Bonds4

About N-cyclopropyl-4-(2-fluoro-6-hydroxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide

N-cyclopropyl-4-(2-fluoro-6-hydroxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide (PubChem CID 149221040) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-cyclopropyl-4-(2-fluoro-6-hydroxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2-fluoro-6-hydroxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
PubChem CID149221040
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC NameN-cyclopropyl-4-(2-fluoro-6-hydroxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
SMILESO=C(c1ccc(-c2c(O)cccc2F)cc1)N(C1CC1)C1CCC2=C(C=NC2)C1
InChIInChI=1S/C24H23FN2O2/c25-21-2-1-3-22(28)23(21)15-4-6-16(7-5-15)24(29)27(19-10-11-19)20-9-8-17-13-26-14-18(17)12-20/h1-7,14,19-20,28H,8-13H2
InChIKeyXILNPIGRGVPJKC-UHFFFAOYSA-N
XLogP4.74
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2-fluoro-6-hydroxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-(2-fluoro-6-hydroxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide (CID 149221040) is N-cyclopropyl-4-(2-fluoro-6-hydroxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(2-fluoro-6-hydroxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(2-fluoro-6-hydroxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide is O=C(c1ccc(-c2c(O)cccc2F)cc1)N(C1CC1)C1CCC2=C(C=NC2)C1.
What is the InChIKey of N-cyclopropyl-4-(2-fluoro-6-hydroxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
The InChIKey is XILNPIGRGVPJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c25-21-2-1-3-22(28)23(21)15-4-6-16(7-5-15)24(29)27(19-10-11-19)20-9-8-17-13-26-14-18(17)12-20/h1-7,14,19-20,28H,8-13H2.
What are the key properties of N-cyclopropyl-4-(2-fluoro-6-hydroxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
N-cyclopropyl-4-(2-fluoro-6-hydroxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide has a molecular weight of 390.46 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2-fluoro-6-hydroxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide is sourced from PubChem (CID 149221040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).