4-chloro-3-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide

C28H16Cl2F6I2N2O4 — CID 87801969

IUPAC4-chloro-3-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Cl)c(I)c1.O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Cl)c(I)c1
InChIInChI=1S/2C14H8ClF3INO2/c2*15-11-5-4-8(6-12(11)19)13(21)20-9-2-1-3-10(7-9)22-14(16,17)18/h2*1-7H,(H,20,21)
InChIKeyDWYBBPYDWKTTGJ-UHFFFAOYSA-N
MW883.15 g/mol
LogP10.19
Rot. Bonds6

About 4-chloro-3-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide

4-chloro-3-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 87801969) has the molecular formula C28H16Cl2F6I2N2O4 and a molecular weight of 883.15 g/mol. Its IUPAC name is 4-chloro-3-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide
PubChem CID87801969
Molecular FormulaC28H16Cl2F6I2N2O4
Molecular Weight883.15 g/mol
Exact Mass881.85
IUPAC Name4-chloro-3-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Cl)c(I)c1.O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Cl)c(I)c1
InChIInChI=1S/2C14H8ClF3INO2/c2*15-11-5-4-8(6-12(11)19)13(21)20-9-2-1-3-10(7-9)22-14(16,17)18/h2*1-7H,(H,20,21)
InChIKeyDWYBBPYDWKTTGJ-UHFFFAOYSA-N
XLogP10.19
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.15
LogP ≤ 510.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-chloro-3-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide (CID 87801969) is 4-chloro-3-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Cl)c(I)c1.O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(Cl)c(I)c1.
What is the InChIKey of 4-chloro-3-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is DWYBBPYDWKTTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H8ClF3INO2/c2*15-11-5-4-8(6-12(11)19)13(21)20-9-2-1-3-10(7-9)22-14(16,17)18/h2*1-7H,(H,20,21).
What are the key properties of 4-chloro-3-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide?
4-chloro-3-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 883.15 g/mol, XLogP of 10.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-iodo-N-[3-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 87801969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).