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

C18H17ClN2O2 — CID 68848777

IUPAC2-[2-(4-chlorophenyl)propyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESCC(CN1C(=O)c2ccccc2C1C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O2/c1-11(12-6-8-13(19)9-7-12)10-21-16(17(20)22)14-4-2-3-5-15(14)18(21)23/h2-9,11,16H,10H2,1H3,(H2,20,22)
InChIKeyXVUXVODIDZUVCO-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.13
Rot. Bonds4

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

2-[2-(4-chlorophenyl)propyl]-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 68848777) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)propyl]-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)propyl]-3-oxo-1H-isoindole-1-carboxamide
PubChem CID68848777
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-[2-(4-chlorophenyl)propyl]-3-oxo-1H-isoindole-1-carboxamide
SMILESCC(CN1C(=O)c2ccccc2C1C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O2/c1-11(12-6-8-13(19)9-7-12)10-21-16(17(20)22)14-4-2-3-5-15(14)18(21)23/h2-9,11,16H,10H2,1H3,(H2,20,22)
InChIKeyXVUXVODIDZUVCO-UHFFFAOYSA-N
XLogP3.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.13
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-1H-isoindole-1-carboxamide?
The IUPAC name of 2-[2-(4-chlorophenyl)propyl]-3-oxo-1H-isoindole-1-carboxamide (CID 68848777) is 2-[2-(4-chlorophenyl)propyl]-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)propyl]-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)propyl]-3-oxo-1H-isoindole-1-carboxamide is CC(CN1C(=O)c2ccccc2C1C(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)propyl]-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is XVUXVODIDZUVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11(12-6-8-13(19)9-7-12)10-21-16(17(20)22)14-4-2-3-5-15(14)18(21)23/h2-9,11,16H,10H2,1H3,(H2,20,22).
What are the key properties of 2-[2-(4-chlorophenyl)propyl]-3-oxo-1H-isoindole-1-carboxamide?
2-[2-(4-chlorophenyl)propyl]-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 3.13, 4 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-1H-isoindole-1-carboxamide is sourced from PubChem (CID 68848777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).