N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C20H19ClN2O2 — CID 86924890

IUPACN-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O2/c1-13(15-8-10-16(21)11-9-15)22(3)19(24)12-23-14(2)17-6-4-5-7-18(17)20(23)25/h4-11,13H,2,12H2,1,3H3
InChIKeyFLDKXZHQFHGOMG-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.99
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 86924890) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID86924890
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O2/c1-13(15-8-10-16(21)11-9-15)22(3)19(24)12-23-14(2)17-6-4-5-7-18(17)20(23)25/h4-11,13H,2,12H2,1,3H3
InChIKeyFLDKXZHQFHGOMG-UHFFFAOYSA-N
XLogP3.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 86924890) is N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is FLDKXZHQFHGOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-13(15-8-10-16(21)11-9-15)22(3)19(24)12-23-14(2)17-6-4-5-7-18(17)20(23)25/h4-11,13H,2,12H2,1,3H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 354.84 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 86924890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).