2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide

C20H10Cl4N2O2 — CID 3095805

IUPAC2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H10Cl4N2O2/c21-11-2-5-14(22)13(8-11)19(27)25-12-3-6-18-17(9-12)26-20(28-18)10-1-4-15(23)16(24)7-10/h1-9H,(H,25,27)
InChIKeyQAEIXTPDHVACAD-UHFFFAOYSA-N
MW452.12 g/mol
LogP7.36
Rot. Bonds3

About 2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide

2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 3095805) has the molecular formula C20H10Cl4N2O2 and a molecular weight of 452.12 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID3095805
Molecular FormulaC20H10Cl4N2O2
Molecular Weight452.12 g/mol
Exact Mass449.95
IUPAC Name2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H10Cl4N2O2/c21-11-2-5-14(22)13(8-11)19(27)25-12-3-6-18-17(9-12)26-20(28-18)10-1-4-15(23)16(24)7-10/h1-9H,(H,25,27)
InChIKeyQAEIXTPDHVACAD-UHFFFAOYSA-N
XLogP7.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.12
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3095801
2,5-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126552
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-fluorobenzamide
CID 2275789
2-chloro-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
CID 3112274
5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23821250
5-(4-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3124272
2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545
2,4-dichloro-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127512
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-fluorobenzamide
CID 1338265
2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23969242
2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-5-iodobenzamide
CID 23739200
2-chloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 91683555

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide (CID 3095805) is 2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide is O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is QAEIXTPDHVACAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl4N2O2/c21-11-2-5-14(22)13(8-11)19(27)25-12-3-6-18-17(9-12)26-20(28-18)10-1-4-15(23)16(24)7-10/h1-9H,(H,25,27).
What are the key properties of 2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide?
2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 452.12 g/mol, XLogP of 7.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 3095805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).