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

C25H26N2O2 — CID 147977427

IUPACN-cyclopropyl-4-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)N(C3CC3)C3CCC4=C(C=NC4)C3)cc2)cc1
InChIInChI=1S/C25H26N2O2/c1-29-24-12-7-18(8-13-24)17-2-4-19(5-3-17)25(28)27(22-10-11-22)23-9-6-20-15-26-16-21(20)14-23/h2-5,7-8,12-13,16,22-23H,6,9-11,14-15H2,1H3
InChIKeyISOFAVVVLOOORW-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.90
Rot. Bonds5

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

N-cyclopropyl-4-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide (PubChem CID 147977427) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
PubChem CID147977427
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC NameN-cyclopropyl-4-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)N(C3CC3)C3CCC4=C(C=NC4)C3)cc2)cc1
InChIInChI=1S/C25H26N2O2/c1-29-24-12-7-18(8-13-24)17-2-4-19(5-3-17)25(28)27(22-10-11-22)23-9-6-20-15-26-16-21(20)14-23/h2-5,7-8,12-13,16,22-23H,6,9-11,14-15H2,1H3
InChIKeyISOFAVVVLOOORW-UHFFFAOYSA-N
XLogP4.90
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide (CID 147977427) is N-cyclopropyl-4-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide is COc1ccc(-c2ccc(C(=O)N(C3CC3)C3CCC4=C(C=NC4)C3)cc2)cc1.
What is the InChIKey of N-cyclopropyl-4-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
The InChIKey is ISOFAVVVLOOORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-29-24-12-7-18(8-13-24)17-2-4-19(5-3-17)25(28)27(22-10-11-22)23-9-6-20-15-26-16-21(20)14-23/h2-5,7-8,12-13,16,22-23H,6,9-11,14-15H2,1H3.
What are the key properties of N-cyclopropyl-4-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide?
N-cyclopropyl-4-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide has a molecular weight of 386.50 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide is sourced from PubChem (CID 147977427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).