2,4-dichlorobenzoyl chloride;phenylmethanamine

C14H12Cl3NO — CID 159329355

IUPAC2,4-dichlorobenzoyl chloride;phenylmethanamine
SMILESNCc1ccccc1.O=C(Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C7H3Cl3O.C7H9N/c8-4-1-2-5(7(10)11)6(9)3-4;8-6-7-4-2-1-3-5-7/h1-3H;1-5H,6,8H2
InChIKeyLETWBASYKXSZER-UHFFFAOYSA-N
MW316.62 g/mol
LogP4.52
Rot. Bonds2

About 2,4-dichlorobenzoyl chloride;phenylmethanamine

2,4-dichlorobenzoyl chloride;phenylmethanamine (PubChem CID 159329355) has the molecular formula C14H12Cl3NO and a molecular weight of 316.62 g/mol. Its IUPAC name is 2,4-dichlorobenzoyl chloride;phenylmethanamine.

Molecular Properties

Compound Name2,4-dichlorobenzoyl chloride;phenylmethanamine
PubChem CID159329355
Molecular FormulaC14H12Cl3NO
Molecular Weight316.62 g/mol
Exact Mass315.00
IUPAC Name2,4-dichlorobenzoyl chloride;phenylmethanamine
SMILESNCc1ccccc1.O=C(Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C7H3Cl3O.C7H9N/c8-4-1-2-5(7(10)11)6(9)3-4;8-6-7-4-2-1-3-5-7/h1-3H;1-5H,6,8H2
InChIKeyLETWBASYKXSZER-UHFFFAOYSA-N
XLogP4.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.62
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichlorobenzoyl chloride;9H-fluoren-9-amine
CID 159487162
acetic acid;(3-chlorophenyl)methanamine
CID 174881740
2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
CID 63492855
bis(4-chlorophenol);phenylmethanamine
CID 70600603
[4-(aminomethyl)phenyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119281987
N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide
CID 62499455
2-(2,4-dichlorophenyl)benzoyl chloride
CID 171785287
2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride
CID 117048262
phenylmethanamine
CID 19864074
[4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934357
(2,4-dichlorophenyl)-(3-propylphenyl)methanone
CID 115812034
2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480

Frequently Asked Questions

What is the IUPAC name of 2,4-dichlorobenzoyl chloride;phenylmethanamine?
The IUPAC name of 2,4-dichlorobenzoyl chloride;phenylmethanamine (CID 159329355) is 2,4-dichlorobenzoyl chloride;phenylmethanamine.
What is the SMILES notation for 2,4-dichlorobenzoyl chloride;phenylmethanamine?
The canonical SMILES for 2,4-dichlorobenzoyl chloride;phenylmethanamine is NCc1ccccc1.O=C(Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichlorobenzoyl chloride;phenylmethanamine?
The InChIKey is LETWBASYKXSZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3O.C7H9N/c8-4-1-2-5(7(10)11)6(9)3-4;8-6-7-4-2-1-3-5-7/h1-3H;1-5H,6,8H2.
What are the key properties of 2,4-dichlorobenzoyl chloride;phenylmethanamine?
2,4-dichlorobenzoyl chloride;phenylmethanamine has a molecular weight of 316.62 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichlorobenzoyl chloride;phenylmethanamine is sourced from PubChem (CID 159329355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).