N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide

C22H15BrClN3O3 — CID 2799969

IUPACN-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide
SMILESCOc1ccc(Br)c(-c2nnc(-c3ccccc3NC(=O)c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C22H15BrClN3O3/c1-29-15-10-11-18(23)17(12-15)22-27-26-21(30-22)16-4-2-3-5-19(16)25-20(28)13-6-8-14(24)9-7-13/h2-12H,1H3,(H,25,28)
InChIKeyXESYBGGWAFWSSQ-UHFFFAOYSA-N
MW484.74 g/mol
LogP6.08
Rot. Bonds5

About N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide

N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide (PubChem CID 2799969) has the molecular formula C22H15BrClN3O3 and a molecular weight of 484.74 g/mol. Its IUPAC name is N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide
PubChem CID2799969
Molecular FormulaC22H15BrClN3O3
Molecular Weight484.74 g/mol
Exact Mass483.00
IUPAC NameN-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide
SMILESCOc1ccc(Br)c(-c2nnc(-c3ccccc3NC(=O)c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C22H15BrClN3O3/c1-29-15-10-11-18(23)17(12-15)22-27-26-21(30-22)16-4-2-3-5-19(16)25-20(28)13-6-8-14(24)9-7-13/h2-12H,1H3,(H,25,28)
InChIKeyXESYBGGWAFWSSQ-UHFFFAOYSA-N
XLogP6.08
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.74
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2799994
4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 170458785
N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide
CID 5297582
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide
CID 170458737
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-methoxybenzamide
CID 4972451
N-(2-bromo-5-chlorophenyl)-4-methoxybenzamide
CID 81271849
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
4-methoxy-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-prop-2-enoxyphenyl]benzamide
CID 170458873
4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide
CID 134868595
4-chloro-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 73254044
N-(2-benzo[g][1,3]benzoxazol-2-ylphenyl)-4-methoxybenzamide
CID 4086369

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide?
The IUPAC name of N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide (CID 2799969) is N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide is COc1ccc(Br)c(-c2nnc(-c3ccccc3NC(=O)c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide?
The InChIKey is XESYBGGWAFWSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrClN3O3/c1-29-15-10-11-18(23)17(12-15)22-27-26-21(30-22)16-4-2-3-5-19(16)25-20(28)13-6-8-14(24)9-7-13/h2-12H,1H3,(H,25,28).
What are the key properties of N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide?
N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide has a molecular weight of 484.74 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-chlorobenzamide is sourced from PubChem (CID 2799969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).