2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide

C21H11Cl2FN2O3 — CID 56506673

IUPAC2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide
SMILESO=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C21H11Cl2FN2O3/c22-16-10-17(23)18(24)9-15(16)19(27)25-11-4-3-5-12(8-11)26-20(28)13-6-1-2-7-14(13)21(26)29/h1-10H,(H,25,27)
InChIKeyNYGKITQULAWXEF-UHFFFAOYSA-N
MW429.23 g/mol
LogP5.19
Rot. Bonds3

About 2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide

2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide (PubChem CID 56506673) has the molecular formula C21H11Cl2FN2O3 and a molecular weight of 429.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide
PubChem CID56506673
Molecular FormulaC21H11Cl2FN2O3
Molecular Weight429.23 g/mol
Exact Mass428.01
IUPAC Name2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide
SMILESO=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C21H11Cl2FN2O3/c22-16-10-17(23)18(24)9-15(16)19(27)25-11-4-3-5-12(8-11)26-20(28)13-6-1-2-7-14(13)21(26)29/h1-10H,(H,25,27)
InChIKeyNYGKITQULAWXEF-UHFFFAOYSA-N
XLogP5.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.23
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(trifluoromethylsulfanyl)benzamide
CID 56508199
2-chloro-N-(3-chloro-4-methylphenyl)-5-(1,3-dioxoisoindol-2-yl)benzamide
CID 1335673
2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide
CID 51330118
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 56507056
(E)-3-(2,6-difluorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]prop-2-enamide
CID 56507424
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283
2-(2-chloroanilino)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 56508672
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(ethylsulfonylamino)benzamide
CID 56509709
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 56508446
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 960947
2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide
CID 78783752
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 56509455

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide (CID 56506673) is 2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide is O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide?
The InChIKey is NYGKITQULAWXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl2FN2O3/c22-16-10-17(23)18(24)9-15(16)19(27)25-11-4-3-5-12(8-11)26-20(28)13-6-1-2-7-14(13)21(26)29/h1-10H,(H,25,27).
What are the key properties of 2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide?
2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide has a molecular weight of 429.23 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide is sourced from PubChem (CID 56506673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).