5-chloro-N-[4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-2-hydroxybenzamide

C26H18Cl2N2O5 — CID 5055356

IUPAC5-chloro-N-[4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(Oc2ccc(NC(=O)c3cc(Cl)ccc3O)cc2)cc1)c1cc(Cl)ccc1O
InChIInChI=1S/C26H18Cl2N2O5/c27-15-1-11-23(31)21(13-15)25(33)29-17-3-7-19(8-4-17)35-20-9-5-18(6-10-20)30-26(34)22-14-16(28)2-12-24(22)32/h1-14,31-32H,(H,29,33)(H,30,34)
InChIKeyVGXPBWCSRZXXQV-UHFFFAOYSA-N
MW509.35 g/mol
LogP6.70
Rot. Bonds6

About 5-chloro-N-[4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-2-hydroxybenzamide

5-chloro-N-[4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-2-hydroxybenzamide (PubChem CID 5055356) has the molecular formula C26H18Cl2N2O5 and a molecular weight of 509.35 g/mol. Its IUPAC name is 5-chloro-N-[4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-2-hydroxybenzamide
PubChem CID5055356
Molecular FormulaC26H18Cl2N2O5
Molecular Weight509.35 g/mol
Exact Mass508.06
IUPAC Name5-chloro-N-[4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(Oc2ccc(NC(=O)c3cc(Cl)ccc3O)cc2)cc1)c1cc(Cl)ccc1O
InChIInChI=1S/C26H18Cl2N2O5/c27-15-1-11-23(31)21(13-15)25(33)29-17-3-7-19(8-4-17)35-20-9-5-18(6-10-20)30-26(34)22-14-16(28)2-12-24(22)32/h1-14,31-32H,(H,29,33)(H,30,34)
InChIKeyVGXPBWCSRZXXQV-UHFFFAOYSA-N
XLogP6.70
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.35
LogP ≤ 56.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-2-hydroxybenzamide (CID 5055356) is 5-chloro-N-[4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-2-hydroxybenzamide is O=C(Nc1ccc(Oc2ccc(NC(=O)c3cc(Cl)ccc3O)cc2)cc1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-2-hydroxybenzamide?
The InChIKey is VGXPBWCSRZXXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2N2O5/c27-15-1-11-23(31)21(13-15)25(33)29-17-3-7-19(8-4-17)35-20-9-5-18(6-10-20)30-26(34)22-14-16(28)2-12-24(22)32/h1-14,31-32H,(H,29,33)(H,30,34).
What are the key properties of 5-chloro-N-[4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-2-hydroxybenzamide?
5-chloro-N-[4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-2-hydroxybenzamide has a molecular weight of 509.35 g/mol, XLogP of 6.70, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[4-[(5-chloro-2-hydroxybenzoyl)amino]phenoxy]phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 5055356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).