10-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]-1,8-dihydroxy-10H-anthracen-9-one

C28H19Cl2NO4 — CID 10529505

IUPAC10-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]-1,8-dihydroxy-10H-anthracen-9-one
SMILESO=C1c2c(O)cccc2C(C(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)c2cccc(O)c21
InChIInChI=1S/C28H19Cl2NO4/c29-18-9-5-10-19(30)27(18)31-20-11-2-1-6-15(20)14-23(34)24-16-7-3-12-21(32)25(16)28(35)26-17(24)8-4-13-22(26)33/h1-13,24,31-33H,14H2
InChIKeyUNYGXWPCGNCTAQ-UHFFFAOYSA-N
MW504.37 g/mol
LogP6.64
Rot. Bonds5

About 10-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]-1,8-dihydroxy-10H-anthracen-9-one

10-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]-1,8-dihydroxy-10H-anthracen-9-one (PubChem CID 10529505) has the molecular formula C28H19Cl2NO4 and a molecular weight of 504.37 g/mol. Its IUPAC name is 10-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]-1,8-dihydroxy-10H-anthracen-9-one.

Molecular Properties

Compound Name10-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]-1,8-dihydroxy-10H-anthracen-9-one
PubChem CID10529505
Molecular FormulaC28H19Cl2NO4
Molecular Weight504.37 g/mol
Exact Mass503.07
IUPAC Name10-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]-1,8-dihydroxy-10H-anthracen-9-one
SMILESO=C1c2c(O)cccc2C(C(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)c2cccc(O)c21
InChIInChI=1S/C28H19Cl2NO4/c29-18-9-5-10-19(30)27(18)31-20-11-2-1-6-15(20)14-23(34)24-16-7-3-12-21(32)25(16)28(35)26-17(24)8-4-13-22(26)33/h1-13,24,31-33H,14H2
InChIKeyUNYGXWPCGNCTAQ-UHFFFAOYSA-N
XLogP6.64
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.37
LogP ≤ 56.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]-1,8-dihydroxy-10H-anthracen-9-one?
The IUPAC name of 10-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]-1,8-dihydroxy-10H-anthracen-9-one (CID 10529505) is 10-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]-1,8-dihydroxy-10H-anthracen-9-one.
What is the SMILES notation for 10-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]-1,8-dihydroxy-10H-anthracen-9-one?
The canonical SMILES for 10-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]-1,8-dihydroxy-10H-anthracen-9-one is O=C1c2c(O)cccc2C(C(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)c2cccc(O)c21.
What is the InChIKey of 10-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]-1,8-dihydroxy-10H-anthracen-9-one?
The InChIKey is UNYGXWPCGNCTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19Cl2NO4/c29-18-9-5-10-19(30)27(18)31-20-11-2-1-6-15(20)14-23(34)24-16-7-3-12-21(32)25(16)28(35)26-17(24)8-4-13-22(26)33/h1-13,24,31-33H,14H2.
What are the key properties of 10-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]-1,8-dihydroxy-10H-anthracen-9-one?
10-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]-1,8-dihydroxy-10H-anthracen-9-one has a molecular weight of 504.37 g/mol, XLogP of 6.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]-1,8-dihydroxy-10H-anthracen-9-one is sourced from PubChem (CID 10529505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).