5-bromo-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C17H13BrClN3O3 — CID 43975783

IUPAC5-bromo-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOc1ccc(-c2nnc(NC(=O)c3cc(Br)ccc3Cl)o2)cc1
InChIInChI=1S/C17H13BrClN3O3/c1-2-24-12-6-3-10(4-7-12)16-21-22-17(25-16)20-15(23)13-9-11(18)5-8-14(13)19/h3-9H,2H2,1H3,(H,20,22,23)
InChIKeyDQWJFTCVKPVKSB-UHFFFAOYSA-N
MW422.67 g/mol
LogP4.80
Rot. Bonds5

About 5-bromo-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

5-bromo-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43975783) has the molecular formula C17H13BrClN3O3 and a molecular weight of 422.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43975783
Molecular FormulaC17H13BrClN3O3
Molecular Weight422.67 g/mol
Exact Mass420.98
IUPAC Name5-bromo-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOc1ccc(-c2nnc(NC(=O)c3cc(Br)ccc3Cl)o2)cc1
InChIInChI=1S/C17H13BrClN3O3/c1-2-24-12-6-3-10(4-7-12)16-21-22-17(25-16)20-15(23)13-9-11(18)5-8-14(13)19/h3-9H,2H2,1H3,(H,20,22,23)
InChIKeyDQWJFTCVKPVKSB-UHFFFAOYSA-N
XLogP4.80
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.67
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 5121950
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 4791318
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608
2,5-dichloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4122330
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43975665
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 16821869
5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide
CID 43972822
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
CID 8719964
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 16854371
4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578105
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43975667
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 43975792

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 43975783) is 5-bromo-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCOc1ccc(-c2nnc(NC(=O)c3cc(Br)ccc3Cl)o2)cc1.
What is the InChIKey of 5-bromo-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is DQWJFTCVKPVKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O3/c1-2-24-12-6-3-10(4-7-12)16-21-22-17(25-16)20-15(23)13-9-11(18)5-8-14(13)19/h3-9H,2H2,1H3,(H,20,22,23).
What are the key properties of 5-bromo-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
5-bromo-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 422.67 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43975783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).