2-(4-carbonochloridoylphenyl)-1,3-dioxoisoindole-5-carbonyl chloride

C16H7Cl2NO4 — CID 3557802

IUPAC2-(4-carbonochloridoylphenyl)-1,3-dioxoisoindole-5-carbonyl chloride
SMILESO=C(Cl)c1ccc(N2C(=O)c3ccc(C(=O)Cl)cc3C2=O)cc1
InChIInChI=1S/C16H7Cl2NO4/c17-13(20)8-1-4-10(5-2-8)19-15(22)11-6-3-9(14(18)21)7-12(11)16(19)23/h1-7H
InChIKeyWNTCBSPRQOPMMJ-UHFFFAOYSA-N
MW348.14 g/mol
LogP3.25
Rot. Bonds3

About 2-(4-carbonochloridoylphenyl)-1,3-dioxoisoindole-5-carbonyl chloride

2-(4-carbonochloridoylphenyl)-1,3-dioxoisoindole-5-carbonyl chloride (PubChem CID 3557802) has the molecular formula C16H7Cl2NO4 and a molecular weight of 348.14 g/mol. Its IUPAC name is 2-(4-carbonochloridoylphenyl)-1,3-dioxoisoindole-5-carbonyl chloride.

Molecular Properties

Compound Name2-(4-carbonochloridoylphenyl)-1,3-dioxoisoindole-5-carbonyl chloride
PubChem CID3557802
Molecular FormulaC16H7Cl2NO4
Molecular Weight348.14 g/mol
Exact Mass346.98
IUPAC Name2-(4-carbonochloridoylphenyl)-1,3-dioxoisoindole-5-carbonyl chloride
SMILESO=C(Cl)c1ccc(N2C(=O)c3ccc(C(=O)Cl)cc3C2=O)cc1
InChIInChI=1S/C16H7Cl2NO4/c17-13(20)8-1-4-10(5-2-8)19-15(22)11-6-3-9(14(18)21)7-12(11)16(19)23/h1-7H
InChIKeyWNTCBSPRQOPMMJ-UHFFFAOYSA-N
XLogP3.25
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(5-carbonochloridoyl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl chloride
CID 155899332
2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 759366
5-(4-fluorobenzoyl)-2-[4-[5-(4-fluorobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 102076477
2-(4-methoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 4163716
methyl 1,3-dioxo-2-phenylisoindole-5-carboxylate
CID 823415
biphenylene-2,7-dicarbonyl chloride
CID 59041868
4-(5-amino-1,3-dioxoisoindol-2-yl)benzoic acid
CID 18411559
2-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 171396123
5-acetyl-2-(4-methoxyphenyl)isoindole-1,3-dione
CID 21024691
2-(4-anilinophenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 5214128
2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 146122876
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbonochloridoylphenyl)-1,3-dioxoisoindole-5-carbonyl chloride?
The IUPAC name of 2-(4-carbonochloridoylphenyl)-1,3-dioxoisoindole-5-carbonyl chloride (CID 3557802) is 2-(4-carbonochloridoylphenyl)-1,3-dioxoisoindole-5-carbonyl chloride.
What is the SMILES notation for 2-(4-carbonochloridoylphenyl)-1,3-dioxoisoindole-5-carbonyl chloride?
The canonical SMILES for 2-(4-carbonochloridoylphenyl)-1,3-dioxoisoindole-5-carbonyl chloride is O=C(Cl)c1ccc(N2C(=O)c3ccc(C(=O)Cl)cc3C2=O)cc1.
What is the InChIKey of 2-(4-carbonochloridoylphenyl)-1,3-dioxoisoindole-5-carbonyl chloride?
The InChIKey is WNTCBSPRQOPMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7Cl2NO4/c17-13(20)8-1-4-10(5-2-8)19-15(22)11-6-3-9(14(18)21)7-12(11)16(19)23/h1-7H.
What are the key properties of 2-(4-carbonochloridoylphenyl)-1,3-dioxoisoindole-5-carbonyl chloride?
2-(4-carbonochloridoylphenyl)-1,3-dioxoisoindole-5-carbonyl chloride has a molecular weight of 348.14 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbonochloridoylphenyl)-1,3-dioxoisoindole-5-carbonyl chloride is sourced from PubChem (CID 3557802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).