N-(3-chloro-4-fluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide

C18H16ClFN2O2 — CID 46256539

IUPACN-(3-chloro-4-fluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2C1=O
InChIInChI=1S/C18H16ClFN2O2/c1-2-8-22-10-11-4-3-5-13(16(11)18(22)24)17(23)21-12-6-7-15(20)14(19)9-12/h3-7,9H,2,8,10H2,1H3,(H,21,23)
InChIKeyGTYVBPFXCDEPRO-UHFFFAOYSA-N
MW346.79 g/mol
LogP4.10
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide

N-(3-chloro-4-fluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide (PubChem CID 46256539) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide
PubChem CID46256539
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide
SMILESCCCN1Cc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2C1=O
InChIInChI=1S/C18H16ClFN2O2/c1-2-8-22-10-11-4-3-5-13(16(11)18(22)24)17(23)21-12-6-7-15(20)14(19)9-12/h3-7,9H,2,8,10H2,1H3,(H,21,23)
InChIKeyGTYVBPFXCDEPRO-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide (CID 46256539) is N-(3-chloro-4-fluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide is CCCN1Cc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2C1=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
The InChIKey is GTYVBPFXCDEPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c1-2-8-22-10-11-4-3-5-13(16(11)18(22)24)17(23)21-12-6-7-15(20)14(19)9-12/h3-7,9H,2,8,10H2,1H3,(H,21,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide has a molecular weight of 346.79 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-oxo-2-propyl-1H-isoindole-4-carboxamide is sourced from PubChem (CID 46256539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).