N-(3-chloro-2,6-diethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide

C22H23ClN2O2 — CID 16593772

IUPACN-(3-chloro-2,6-diethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)Nc1c(CC)ccc(Cl)c1CC
InChIInChI=1S/C22H23ClN2O2/c1-4-15-10-11-19(23)16(5-2)21(15)24-20(26)12-13-25-14(3)17-8-6-7-9-18(17)22(25)27/h6-11H,3-5,12-13H2,1-2H3,(H,24,26)
InChIKeyNVSZFPGEZYILAV-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.92
Rot. Bonds6

About N-(3-chloro-2,6-diethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide

N-(3-chloro-2,6-diethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide (PubChem CID 16593772) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-(3-chloro-2,6-diethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-diethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
PubChem CID16593772
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC NameN-(3-chloro-2,6-diethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)Nc1c(CC)ccc(Cl)c1CC
InChIInChI=1S/C22H23ClN2O2/c1-4-15-10-11-19(23)16(5-2)21(15)24-20(26)12-13-25-14(3)17-8-6-7-9-18(17)22(25)27/h6-11H,3-5,12-13H2,1-2H3,(H,24,26)
InChIKeyNVSZFPGEZYILAV-UHFFFAOYSA-N
XLogP4.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 7290099
3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 723292
N-(3-chloro-4-methoxyphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16591915
N-(3-chloro-2,6-diethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 38013271
N-(2,3-dimethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 17435886
3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide
CID 16590437
3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide
CID 29298588
N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16590769
propan-2-yl 4-[3-(1-methylidene-3-oxoisoindol-2-yl)propanoylamino]benzoate
CID 16598611
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 55494793
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16594348
N-(3-chloro-2,6-diethylphenyl)-2-(2-phenylphenoxy)acetamide
CID 7920613

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-diethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The IUPAC name of N-(3-chloro-2,6-diethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide (CID 16593772) is N-(3-chloro-2,6-diethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2,6-diethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(3-chloro-2,6-diethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide is C=C1c2ccccc2C(=O)N1CCC(=O)Nc1c(CC)ccc(Cl)c1CC.
What is the InChIKey of N-(3-chloro-2,6-diethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The InChIKey is NVSZFPGEZYILAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-4-15-10-11-19(23)16(5-2)21(15)24-20(26)12-13-25-14(3)17-8-6-7-9-18(17)22(25)27/h6-11H,3-5,12-13H2,1-2H3,(H,24,26).
What are the key properties of N-(3-chloro-2,6-diethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
N-(3-chloro-2,6-diethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide has a molecular weight of 382.89 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-diethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide is sourced from PubChem (CID 16593772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).