3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide

C21H12Cl3N3O2 — CID 2797889

IUPAC3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H12Cl3N3O2/c22-14-8-5-12(6-9-14)19-26-21(29-27-19)15-3-1-2-4-18(15)25-20(28)13-7-10-16(23)17(24)11-13/h1-11H,(H,25,28)
InChIKeyZCTMTHBILQSBCQ-UHFFFAOYSA-N
MW444.71 g/mol
LogP6.62
Rot. Bonds4

About 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide

3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (PubChem CID 2797889) has the molecular formula C21H12Cl3N3O2 and a molecular weight of 444.71 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
PubChem CID2797889
Molecular FormulaC21H12Cl3N3O2
Molecular Weight444.71 g/mol
Exact Mass443.00
IUPAC Name3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H12Cl3N3O2/c22-14-8-5-12(6-9-14)19-26-21(29-27-19)15-3-1-2-4-18(15)25-20(28)13-7-10-16(23)17(24)11-13/h1-11H,(H,25,28)
InChIKeyZCTMTHBILQSBCQ-UHFFFAOYSA-N
XLogP6.62
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.71
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-methoxybenzamide
CID 4972451
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 4897487
3,4-dichloro-N-(2-phenylphenyl)benzamide
CID 7746275
4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 73254044
4-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 4973284
2-(4-chlorophenyl)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30332574
3,4-dimethoxy-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330830
4-chloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 30329541
2-iodo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329655
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-6-methylpyridine-3-carboxamide
CID 30334645
4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329289
4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747216

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (CID 2797889) is 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is O=C(Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The InChIKey is ZCTMTHBILQSBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl3N3O2/c22-14-8-5-12(6-9-14)19-26-21(29-27-19)15-3-1-2-4-18(15)25-20(28)13-7-10-16(23)17(24)11-13/h1-11H,(H,25,28).
What are the key properties of 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide has a molecular weight of 444.71 g/mol, XLogP of 6.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 2797889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).