2-[2-(4-chlorophenyl)propyl]-3-oxo-N-propyl-1H-isoindole-1-carboxamide

C21H23ClN2O2 — CID 68775231

IUPAC2-[2-(4-chlorophenyl)propyl]-3-oxo-N-propyl-1H-isoindole-1-carboxamide
SMILESCCCNC(=O)C1c2ccccc2C(=O)N1CC(C)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c1-3-12-23-20(25)19-17-6-4-5-7-18(17)21(26)24(19)13-14(2)15-8-10-16(22)11-9-15/h4-11,14,19H,3,12-13H2,1-2H3,(H,23,25)
InChIKeyORTPWEWMSRZRJZ-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.17
Rot. Bonds6

About 2-[2-(4-chlorophenyl)propyl]-3-oxo-N-propyl-1H-isoindole-1-carboxamide

2-[2-(4-chlorophenyl)propyl]-3-oxo-N-propyl-1H-isoindole-1-carboxamide (PubChem CID 68775231) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)propyl]-3-oxo-N-propyl-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)propyl]-3-oxo-N-propyl-1H-isoindole-1-carboxamide
PubChem CID68775231
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name2-[2-(4-chlorophenyl)propyl]-3-oxo-N-propyl-1H-isoindole-1-carboxamide
SMILESCCCNC(=O)C1c2ccccc2C(=O)N1CC(C)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c1-3-12-23-20(25)19-17-6-4-5-7-18(17)21(26)24(19)13-14(2)15-8-10-16(22)11-9-15/h4-11,14,19H,3,12-13H2,1-2H3,(H,23,25)
InChIKeyORTPWEWMSRZRJZ-UHFFFAOYSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)propyl]-3-oxo-N-propyl-1H-isoindole-1-carboxamide?
The IUPAC name of 2-[2-(4-chlorophenyl)propyl]-3-oxo-N-propyl-1H-isoindole-1-carboxamide (CID 68775231) is 2-[2-(4-chlorophenyl)propyl]-3-oxo-N-propyl-1H-isoindole-1-carboxamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)propyl]-3-oxo-N-propyl-1H-isoindole-1-carboxamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)propyl]-3-oxo-N-propyl-1H-isoindole-1-carboxamide is CCCNC(=O)C1c2ccccc2C(=O)N1CC(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)propyl]-3-oxo-N-propyl-1H-isoindole-1-carboxamide?
The InChIKey is ORTPWEWMSRZRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-3-12-23-20(25)19-17-6-4-5-7-18(17)21(26)24(19)13-14(2)15-8-10-16(22)11-9-15/h4-11,14,19H,3,12-13H2,1-2H3,(H,23,25).
What are the key properties of 2-[2-(4-chlorophenyl)propyl]-3-oxo-N-propyl-1H-isoindole-1-carboxamide?
2-[2-(4-chlorophenyl)propyl]-3-oxo-N-propyl-1H-isoindole-1-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)propyl]-3-oxo-N-propyl-1H-isoindole-1-carboxamide is sourced from PubChem (CID 68775231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).