N-[3-(4-chlorophenoxy)propyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide

C20H19ClN2O4 — CID 55898733

IUPACN-[3-(4-chlorophenoxy)propyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C20H19ClN2O4/c1-22(10-3-11-27-15-7-5-14(21)6-8-15)18(24)13-4-9-16-17(12-13)20(26)23(2)19(16)25/h4-9,12H,3,10-11H2,1-2H3
InChIKeyJIGQIYFGMLFYBU-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.11
Rot. Bonds6

About N-[3-(4-chlorophenoxy)propyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide

N-[3-(4-chlorophenoxy)propyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55898733) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is N-[3-(4-chlorophenoxy)propyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenoxy)propyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID55898733
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC NameN-[3-(4-chlorophenoxy)propyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C20H19ClN2O4/c1-22(10-3-11-27-15-7-5-14(21)6-8-15)18(24)13-4-9-16-17(12-13)20(26)23(2)19(16)25/h4-9,12H,3,10-11H2,1-2H3
InChIKeyJIGQIYFGMLFYBU-UHFFFAOYSA-N
XLogP3.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
CID 32906535
N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 35691977
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55858752
N-[(4-chlorophenyl)methyl]-2-(4-ethoxyphenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 31988277
4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide
CID 60589214
N-[3-(4-chlorophenoxy)propyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 47067363
N-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
CID 71934907
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide
CID 31289866
2-(4-ethoxyphenyl)-N-methyl-1,3-dioxo-N-(2-pyrrolidin-1-ylethyl)isoindole-5-carboxamide
CID 56508953
N-[(4-cyanophenyl)methyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
CID 39861425

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenoxy)propyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[3-(4-chlorophenoxy)propyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide (CID 55898733) is N-[3-(4-chlorophenoxy)propyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenoxy)propyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenoxy)propyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide is CN(CCCOc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of N-[3-(4-chlorophenoxy)propyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is JIGQIYFGMLFYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-22(10-3-11-27-15-7-5-14(21)6-8-15)18(24)13-4-9-16-17(12-13)20(26)23(2)19(16)25/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of N-[3-(4-chlorophenoxy)propyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide?
N-[3-(4-chlorophenoxy)propyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenoxy)propyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55898733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).