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

C22H15BrN4O3 — CID 45019880

IUPAC2-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1)c1ccc(Br)cc1
InChIInChI=1S/C22H15BrN4O3/c23-16-12-10-14(11-13-16)19(28)24-18-9-5-4-8-17(18)20(29)25-22-27-26-21(30-22)15-6-2-1-3-7-15/h1-13H,(H,24,28)(H,25,27,29)
InChIKeyMYDBWOCYZNBWAL-UHFFFAOYSA-N
MW463.29 g/mol
LogP5.00
Rot. Bonds5

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

2-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 45019880) has the molecular formula C22H15BrN4O3 and a molecular weight of 463.29 g/mol. Its IUPAC name is 2-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID45019880
Molecular FormulaC22H15BrN4O3
Molecular Weight463.29 g/mol
Exact Mass462.03
IUPAC Name2-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1)c1ccc(Br)cc1
InChIInChI=1S/C22H15BrN4O3/c23-16-12-10-14(11-13-16)19(28)24-18-9-5-4-8-17(18)20(29)25-22-27-26-21(30-22)15-6-2-1-3-7-15/h1-13H,(H,24,28)(H,25,27,29)
InChIKeyMYDBWOCYZNBWAL-UHFFFAOYSA-N
XLogP5.00
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.29
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45017764
4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45016585
4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821866
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 16821911
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43976197
2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 7565083
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 41147646
6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
CID 63980510
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 43976193
4-bromo-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4591135
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide
CID 43976145
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 16821869

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 2-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 45019880) is 2-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 2-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 2-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is MYDBWOCYZNBWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN4O3/c23-16-12-10-14(11-13-16)19(28)24-18-9-5-4-8-17(18)20(29)25-22-27-26-21(30-22)15-6-2-1-3-7-15/h1-13H,(H,24,28)(H,25,27,29).
What are the key properties of 2-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
2-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 463.29 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 45019880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).