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

C24H22F2N2O — CID 158422530

IUPACN-cyclopropyl-4-(2,6-difluorophenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
SMILESO=C(c1ccc(-c2c(F)cccc2F)cc1)N(C1CC1)C1CCC2=C(C=NC2)C1
InChIInChI=1S/C24H22F2N2O/c25-21-2-1-3-22(26)23(21)15-4-6-16(7-5-15)24(29)28(19-10-11-19)20-9-8-17-13-27-14-18(17)12-20/h1-7,14,19-20H,8-13H2
InChIKeyHAQTXNKEKGBGLF-UHFFFAOYSA-N
MW392.45 g/mol
LogP5.17
Rot. Bonds4

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

N-cyclopropyl-4-(2,6-difluorophenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide (PubChem CID 158422530) has the molecular formula C24H22F2N2O and a molecular weight of 392.45 g/mol. Its IUPAC name is N-cyclopropyl-4-(2,6-difluorophenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2,6-difluorophenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
PubChem CID158422530
Molecular FormulaC24H22F2N2O
Molecular Weight392.45 g/mol
Exact Mass392.17
IUPAC NameN-cyclopropyl-4-(2,6-difluorophenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
SMILESO=C(c1ccc(-c2c(F)cccc2F)cc1)N(C1CC1)C1CCC2=C(C=NC2)C1
InChIInChI=1S/C24H22F2N2O/c25-21-2-1-3-22(26)23(21)15-4-6-16(7-5-15)24(29)28(19-10-11-19)20-9-8-17-13-27-14-18(17)12-20/h1-7,14,19-20H,8-13H2
InChIKeyHAQTXNKEKGBGLF-UHFFFAOYSA-N
XLogP5.17
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.45
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2,6-difluorophenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-(2,6-difluorophenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide (CID 158422530) is N-cyclopropyl-4-(2,6-difluorophenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(2,6-difluorophenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(2,6-difluorophenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide is O=C(c1ccc(-c2c(F)cccc2F)cc1)N(C1CC1)C1CCC2=C(C=NC2)C1.
What is the InChIKey of N-cyclopropyl-4-(2,6-difluorophenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
The InChIKey is HAQTXNKEKGBGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O/c25-21-2-1-3-22(26)23(21)15-4-6-16(7-5-15)24(29)28(19-10-11-19)20-9-8-17-13-27-14-18(17)12-20/h1-7,14,19-20H,8-13H2.
What are the key properties of N-cyclopropyl-4-(2,6-difluorophenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
N-cyclopropyl-4-(2,6-difluorophenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide has a molecular weight of 392.45 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2,6-difluorophenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide is sourced from PubChem (CID 158422530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).