[2,6-dichloro-4-[(4-hydroxyphenyl)carbamoyl]phenyl] acetate

C15H11Cl2NO4 — CID 17361787

IUPAC[2,6-dichloro-4-[(4-hydroxyphenyl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1c(Cl)cc(C(=O)Nc2ccc(O)cc2)cc1Cl
InChIInChI=1S/C15H11Cl2NO4/c1-8(19)22-14-12(16)6-9(7-13(14)17)15(21)18-10-2-4-11(20)5-3-10/h2-7,20H,1H3,(H,18,21)
InChIKeyGJNONOHJSNAACE-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.88
Rot. Bonds3

About [2,6-dichloro-4-[(4-hydroxyphenyl)carbamoyl]phenyl] acetate

[2,6-dichloro-4-[(4-hydroxyphenyl)carbamoyl]phenyl] acetate (PubChem CID 17361787) has the molecular formula C15H11Cl2NO4 and a molecular weight of 340.16 g/mol. Its IUPAC name is [2,6-dichloro-4-[(4-hydroxyphenyl)carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2,6-dichloro-4-[(4-hydroxyphenyl)carbamoyl]phenyl] acetate
PubChem CID17361787
Molecular FormulaC15H11Cl2NO4
Molecular Weight340.16 g/mol
Exact Mass339.01
IUPAC Name[2,6-dichloro-4-[(4-hydroxyphenyl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1c(Cl)cc(C(=O)Nc2ccc(O)cc2)cc1Cl
InChIInChI=1S/C15H11Cl2NO4/c1-8(19)22-14-12(16)6-9(7-13(14)17)15(21)18-10-2-4-11(20)5-3-10/h2-7,20H,1H3,(H,18,21)
InChIKeyGJNONOHJSNAACE-UHFFFAOYSA-N
XLogP3.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-(4-hydroxyphenyl)benzamide
CID 82832564
N-[4-(carbamoylamino)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 33153788
[2,3-diacetyloxy-5-(phenylcarbamoyl)phenyl] acetate
CID 14793866
N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
[3-acetyloxy-5-[[4-[4-[(3,5-diacetyloxybenzoyl)amino]phenyl]phenyl]carbamoyl]phenyl] acetate
CID 122548272
[2,3-diacetyloxy-5-[[4-(dimethylamino)phenyl]carbamoyl]phenyl] acetate
CID 2326725
[3-acetyloxy-5-[(4-propan-2-ylphenyl)carbamoyl]phenyl] acetate
CID 2975179
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
propan-2-yl 4-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoate
CID 17050218
4-[(3,5-dichloro-4-ethoxybenzoyl)amino]benzoate
CID 7412426
3,5-dichloro-4-ethoxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 1297495
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409

Frequently Asked Questions

What is the IUPAC name of [2,6-dichloro-4-[(4-hydroxyphenyl)carbamoyl]phenyl] acetate?
The IUPAC name of [2,6-dichloro-4-[(4-hydroxyphenyl)carbamoyl]phenyl] acetate (CID 17361787) is [2,6-dichloro-4-[(4-hydroxyphenyl)carbamoyl]phenyl] acetate.
What is the SMILES notation for [2,6-dichloro-4-[(4-hydroxyphenyl)carbamoyl]phenyl] acetate?
The canonical SMILES for [2,6-dichloro-4-[(4-hydroxyphenyl)carbamoyl]phenyl] acetate is CC(=O)Oc1c(Cl)cc(C(=O)Nc2ccc(O)cc2)cc1Cl.
What is the InChIKey of [2,6-dichloro-4-[(4-hydroxyphenyl)carbamoyl]phenyl] acetate?
The InChIKey is GJNONOHJSNAACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO4/c1-8(19)22-14-12(16)6-9(7-13(14)17)15(21)18-10-2-4-11(20)5-3-10/h2-7,20H,1H3,(H,18,21).
What are the key properties of [2,6-dichloro-4-[(4-hydroxyphenyl)carbamoyl]phenyl] acetate?
[2,6-dichloro-4-[(4-hydroxyphenyl)carbamoyl]phenyl] acetate has a molecular weight of 340.16 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dichloro-4-[(4-hydroxyphenyl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 17361787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).