3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide

C19H16ClFN2O3 — CID 113202138

IUPAC3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESO=C(CCN1C(=O)c2cccc(Cl)c2C1=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H16ClFN2O3/c20-15-3-1-2-14-17(15)19(26)23(18(14)25)11-9-16(24)22-10-8-12-4-6-13(21)7-5-12/h1-7H,8-11H2,(H,22,24)
InChIKeyVJNLEGKBEXKQSW-UHFFFAOYSA-N
MW374.80 g/mol
LogP2.82
Rot. Bonds6

About 3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide

3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 113202138) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is 3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID113202138
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Name3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESO=C(CCN1C(=O)c2cccc(Cl)c2C1=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H16ClFN2O3/c20-15-3-1-2-14-17(15)19(26)23(18(14)25)11-9-16(24)22-10-8-12-4-6-13(21)7-5-12/h1-7H,8-11H2,(H,22,24)
InChIKeyVJNLEGKBEXKQSW-UHFFFAOYSA-N
XLogP2.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2712696
N-butyl-3-(4-chloro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202097
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 113201305
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 113082355
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113202301
3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide
CID 113202430
3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 8636592
3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)propanamide
CID 113202778
3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113202215
3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113202209
2,6-dichloro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 1122033
5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 9080736

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 113202138) is 3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide is O=C(CCN1C(=O)c2cccc(Cl)c2C1=O)NCCc1ccc(F)cc1.
What is the InChIKey of 3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is VJNLEGKBEXKQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c20-15-3-1-2-14-17(15)19(26)23(18(14)25)11-9-16(24)22-10-8-12-4-6-13(21)7-5-12/h1-7H,8-11H2,(H,22,24).
What are the key properties of 3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 374.80 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 113202138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).