3,6-dichloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide

C17H13Cl2N3O3 — CID 110418387

IUPAC3,6-dichloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)Nc1cccc(-c2nc(C)no2)c1
InChIInChI=1S/C17H13Cl2N3O3/c1-9-20-17(25-22-9)10-4-3-5-11(8-10)21-16(23)14-12(18)6-7-13(19)15(14)24-2/h3-8H,1-2H3,(H,21,23)
InChIKeySBNMUZXDZFNNAE-UHFFFAOYSA-N
MW378.22 g/mol
LogP4.61
Rot. Bonds4

About 3,6-dichloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide

3,6-dichloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (PubChem CID 110418387) has the molecular formula C17H13Cl2N3O3 and a molecular weight of 378.22 g/mol. Its IUPAC name is 3,6-dichloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,6-dichloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
PubChem CID110418387
Molecular FormulaC17H13Cl2N3O3
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Name3,6-dichloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)Nc1cccc(-c2nc(C)no2)c1
InChIInChI=1S/C17H13Cl2N3O3/c1-9-20-17(25-22-9)10-4-3-5-11(8-10)21-16(23)14-12(18)6-7-13(19)15(14)24-2/h3-8H,1-2H3,(H,21,23)
InChIKeySBNMUZXDZFNNAE-UHFFFAOYSA-N
XLogP4.61
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266964
3,4-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266966
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-4-carboxamide
CID 110643697
2-(4-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 46266992
phenyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 110418385
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110643698
benzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 110643709
3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418417
5-chloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418448
3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266946
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168608062
2-chloro-N-[3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4,5-difluorobenzamide
CID 39854105

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The IUPAC name of 3,6-dichloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (CID 110418387) is 3,6-dichloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3,6-dichloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3,6-dichloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is COc1c(Cl)ccc(Cl)c1C(=O)Nc1cccc(-c2nc(C)no2)c1.
What is the InChIKey of 3,6-dichloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The InChIKey is SBNMUZXDZFNNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3/c1-9-20-17(25-22-9)10-4-3-5-11(8-10)21-16(23)14-12(18)6-7-13(19)15(14)24-2/h3-8H,1-2H3,(H,21,23).
What are the key properties of 3,6-dichloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
3,6-dichloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide has a molecular weight of 378.22 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 110418387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).