(2,6-dichloroanilino) benzoate;hydrochloride

C13H10Cl3NO2 — CID 174870620

IUPAC(2,6-dichloroanilino) benzoate;hydrochloride
SMILESCl.O=C(ONc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C13H9Cl2NO2.ClH/c14-10-7-4-8-11(15)12(10)16-18-13(17)9-5-2-1-3-6-9;/h1-8,16H;1H
InChIKeyQAQGCBIDYHMAKV-UHFFFAOYSA-N
MW318.59 g/mol
LogP4.60
Rot. Bonds3

About (2,6-dichloroanilino) benzoate;hydrochloride

(2,6-dichloroanilino) benzoate;hydrochloride (PubChem CID 174870620) has the molecular formula C13H10Cl3NO2 and a molecular weight of 318.59 g/mol. Its IUPAC name is (2,6-dichloroanilino) benzoate;hydrochloride.

Molecular Properties

Compound Name(2,6-dichloroanilino) benzoate;hydrochloride
PubChem CID174870620
Molecular FormulaC13H10Cl3NO2
Molecular Weight318.59 g/mol
Exact Mass316.98
IUPAC Name(2,6-dichloroanilino) benzoate;hydrochloride
SMILESCl.O=C(ONc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C13H9Cl2NO2.ClH/c14-10-7-4-8-11(15)12(10)16-18-13(17)9-5-2-1-3-6-9;/h1-8,16H;1H
InChIKeyQAQGCBIDYHMAKV-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.59
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2,6-dichloroanilino) benzoate
CID 174870621
[[4,6-bis(benzoyloxyamino)-1,3,5-triazin-2-yl]amino] benzoate
CID 90935192
[4-chloro-3-(trifluoromethyl)anilino] benzoate
CID 174783175
[3-(2-chlorophenyl)prop-2-enoylamino] benzoate
CID 91050656
[(2-amino-6-chloro-3-pyridinyl)amino] benzoate
CID 163578062
4-anilinooxycarbonylbenzoic acid
CID 154089254
N-(2-bromo-6-chlorophenyl)benzamide
CID 13226852
(1,8-dichloro-9,10-dihydroanthracen-9-yl) benzoate
CID 101140258
N-(2-chloro-6-formylphenyl)benzamide
CID 175049860
(1,3-thiazol-2-ylamino) benzoate
CID 174937063
[(4,6-dimethylpyrimidin-2-yl)amino] benzoate
CID 14045751
(2-amino-6-chlorophenyl)methyl benzoate
CID 134095061

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloroanilino) benzoate;hydrochloride?
The IUPAC name of (2,6-dichloroanilino) benzoate;hydrochloride (CID 174870620) is (2,6-dichloroanilino) benzoate;hydrochloride.
What is the SMILES notation for (2,6-dichloroanilino) benzoate;hydrochloride?
The canonical SMILES for (2,6-dichloroanilino) benzoate;hydrochloride is Cl.O=C(ONc1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of (2,6-dichloroanilino) benzoate;hydrochloride?
The InChIKey is QAQGCBIDYHMAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2.ClH/c14-10-7-4-8-11(15)12(10)16-18-13(17)9-5-2-1-3-6-9;/h1-8,16H;1H.
What are the key properties of (2,6-dichloroanilino) benzoate;hydrochloride?
(2,6-dichloroanilino) benzoate;hydrochloride has a molecular weight of 318.59 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloroanilino) benzoate;hydrochloride is sourced from PubChem (CID 174870620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).