2-chloro-N-[4-[3-[4-[(2-chlorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide

C32H22Cl2N2O4 — CID 3102224

IUPAC2-chloro-N-[4-[3-[4-[(2-chlorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)c4ccccc4Cl)cc3)c2)cc1)c1ccccc1Cl
InChIInChI=1S/C32H22Cl2N2O4/c33-29-10-3-1-8-27(29)31(37)35-21-12-16-23(17-13-21)39-25-6-5-7-26(20-25)40-24-18-14-22(15-19-24)36-32(38)28-9-2-4-11-30(28)34/h1-20H,(H,35,37)(H,36,38)
InChIKeyFRHLKABUSOBNGY-UHFFFAOYSA-N
MW569.44 g/mol
LogP9.08
Rot. Bonds8

About 2-chloro-N-[4-[3-[4-[(2-chlorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide

2-chloro-N-[4-[3-[4-[(2-chlorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide (PubChem CID 3102224) has the molecular formula C32H22Cl2N2O4 and a molecular weight of 569.44 g/mol. Its IUPAC name is 2-chloro-N-[4-[3-[4-[(2-chlorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[3-[4-[(2-chlorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide
PubChem CID3102224
Molecular FormulaC32H22Cl2N2O4
Molecular Weight569.44 g/mol
Exact Mass568.10
IUPAC Name2-chloro-N-[4-[3-[4-[(2-chlorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)c4ccccc4Cl)cc3)c2)cc1)c1ccccc1Cl
InChIInChI=1S/C32H22Cl2N2O4/c33-29-10-3-1-8-27(29)31(37)35-21-12-16-23(17-13-21)39-25-6-5-7-26(20-25)40-24-18-14-22(15-19-24)36-32(38)28-9-2-4-11-30(28)34/h1-20H,(H,35,37)(H,36,38)
InChIKeyFRHLKABUSOBNGY-UHFFFAOYSA-N
XLogP9.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.44
LogP ≤ 59.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[3-[4-[(2-chlorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[3-[4-[(2-chlorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide (CID 3102224) is 2-chloro-N-[4-[3-[4-[(2-chlorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[3-[4-[(2-chlorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[3-[4-[(2-chlorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide is O=C(Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)c4ccccc4Cl)cc3)c2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-[3-[4-[(2-chlorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide?
The InChIKey is FRHLKABUSOBNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22Cl2N2O4/c33-29-10-3-1-8-27(29)31(37)35-21-12-16-23(17-13-21)39-25-6-5-7-26(20-25)40-24-18-14-22(15-19-24)36-32(38)28-9-2-4-11-30(28)34/h1-20H,(H,35,37)(H,36,38).
What are the key properties of 2-chloro-N-[4-[3-[4-[(2-chlorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide?
2-chloro-N-[4-[3-[4-[(2-chlorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide has a molecular weight of 569.44 g/mol, XLogP of 9.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[3-[4-[(2-chlorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide is sourced from PubChem (CID 3102224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).