2-chloro-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide

C17H13ClN2O3 — CID 168516613

IUPAC2-chloro-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl
InChIInChI=1S/C17H13ClN2O3/c1-2-19-15(21)13-8-7-10(9-14(13)18)20-16(22)11-5-3-4-6-12(11)17(20)23/h3-9H,2H2,1H3,(H,19,21)
InChIKeyBDFFPKUMHVIDJV-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.89
Rot. Bonds3

About 2-chloro-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide

2-chloro-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide (PubChem CID 168516613) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 2-chloro-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide.

Molecular Properties

Compound Name2-chloro-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
PubChem CID168516613
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name2-chloro-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl
InChIInChI=1S/C17H13ClN2O3/c1-2-19-15(21)13-8-7-10(9-14(13)18)20-16(22)11-5-3-4-6-12(11)17(20)23/h3-9H,2H2,1H3,(H,19,21)
InChIKeyBDFFPKUMHVIDJV-UHFFFAOYSA-N
XLogP2.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.89
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

4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
CID 17234242
2-chloro-4-(1,3-dioxoisoindol-2-yl)benzenecarbothioamide
CID 130654578
N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide
CID 5153626
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
2-chloro-N-(3-chloro-4-methylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzamide
CID 1335673
4-tert-butyl-N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
CID 4628171
N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-2-methylbenzamide
CID 3519827
2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione
CID 106913246
2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide
CID 56506673
2-(2,6-diethylphenyl)-N-ethyl-1,3-dioxoisoindole-4-carboxamide
CID 70495171
N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-2-fluorobenzamide
CID 4626816
2-(3-amino-4-ethylphenyl)isoindole-1,3-dione
CID 60921292

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide?
The IUPAC name of 2-chloro-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide (CID 168516613) is 2-chloro-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide.
What is the SMILES notation for 2-chloro-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide?
The canonical SMILES for 2-chloro-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide is CCNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl.
What is the InChIKey of 2-chloro-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide?
The InChIKey is BDFFPKUMHVIDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-2-19-15(21)13-8-7-10(9-14(13)18)20-16(22)11-5-3-4-6-12(11)17(20)23/h3-9H,2H2,1H3,(H,19,21).
What are the key properties of 2-chloro-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide?
2-chloro-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide has a molecular weight of 328.76 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide is sourced from PubChem (CID 168516613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).