2,4-dichlorobenzoyl chloride;9H-fluoren-9-amine

C20H14Cl3NO — CID 159487162

IUPAC2,4-dichlorobenzoyl chloride;9H-fluoren-9-amine
SMILESNC1c2ccccc2-c2ccccc21.O=C(Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11N.C7H3Cl3O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;8-4-1-2-5(7(10)11)6(9)3-4/h1-8,13H,14H2;1-3H
InChIKeyLXSLVIDMBXEINS-UHFFFAOYSA-N
MW390.70 g/mol
LogP6.09
Rot. Bonds1

About 2,4-dichlorobenzoyl chloride;9H-fluoren-9-amine

2,4-dichlorobenzoyl chloride;9H-fluoren-9-amine (PubChem CID 159487162) has the molecular formula C20H14Cl3NO and a molecular weight of 390.70 g/mol. Its IUPAC name is 2,4-dichlorobenzoyl chloride;9H-fluoren-9-amine.

Molecular Properties

Compound Name2,4-dichlorobenzoyl chloride;9H-fluoren-9-amine
PubChem CID159487162
Molecular FormulaC20H14Cl3NO
Molecular Weight390.70 g/mol
Exact Mass389.01
IUPAC Name2,4-dichlorobenzoyl chloride;9H-fluoren-9-amine
SMILESNC1c2ccccc2-c2ccccc21.O=C(Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11N.C7H3Cl3O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;8-4-1-2-5(7(10)11)6(9)3-4/h1-8,13H,14H2;1-3H
InChIKeyLXSLVIDMBXEINS-UHFFFAOYSA-N
XLogP6.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.70
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichlorobenzoyl chloride;9H-fluoren-9-amine?
The IUPAC name of 2,4-dichlorobenzoyl chloride;9H-fluoren-9-amine (CID 159487162) is 2,4-dichlorobenzoyl chloride;9H-fluoren-9-amine.
What is the SMILES notation for 2,4-dichlorobenzoyl chloride;9H-fluoren-9-amine?
The canonical SMILES for 2,4-dichlorobenzoyl chloride;9H-fluoren-9-amine is NC1c2ccccc2-c2ccccc21.O=C(Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichlorobenzoyl chloride;9H-fluoren-9-amine?
The InChIKey is LXSLVIDMBXEINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N.C7H3Cl3O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;8-4-1-2-5(7(10)11)6(9)3-4/h1-8,13H,14H2;1-3H.
What are the key properties of 2,4-dichlorobenzoyl chloride;9H-fluoren-9-amine?
2,4-dichlorobenzoyl chloride;9H-fluoren-9-amine has a molecular weight of 390.70 g/mol, XLogP of 6.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichlorobenzoyl chloride;9H-fluoren-9-amine is sourced from PubChem (CID 159487162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).