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

C22H15BrN4O3 — CID 45016585

IUPAC4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C22H15BrN4O3/c23-17-10-6-14(7-11-17)19(28)24-18-12-8-15(9-13-18)20(29)25-22-27-26-21(30-22)16-4-2-1-3-5-16/h1-13H,(H,24,28)(H,25,27,29)
InChIKeyPPQHBQKKIXZYOD-UHFFFAOYSA-N
MW463.29 g/mol
LogP5.00
Rot. Bonds5

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

4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 45016585) has the molecular formula C22H15BrN4O3 and a molecular weight of 463.29 g/mol. Its IUPAC name is 4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID45016585
Molecular FormulaC22H15BrN4O3
Molecular Weight463.29 g/mol
Exact Mass462.03
IUPAC Name4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C22H15BrN4O3/c23-17-10-6-14(7-11-17)19(28)24-18-12-8-15(9-13-18)20(29)25-22-27-26-21(30-22)16-4-2-1-3-5-16/h1-13H,(H,24,28)(H,25,27,29)
InChIKeyPPQHBQKKIXZYOD-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

4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821866
2-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45019880
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 16821911
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
4-(pentanoylamino)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45016444
N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24676924
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide
CID 170150882
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43976197
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
2-[(4-chlorobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45017764
3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45021441

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 45016585) is 4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is PPQHBQKKIXZYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN4O3/c23-17-10-6-14(7-11-17)19(28)24-18-12-8-15(9-13-18)20(29)25-22-27-26-21(30-22)16-4-2-1-3-5-16/h1-13H,(H,24,28)(H,25,27,29).
What are the key properties of 4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
4-[(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 4-[(4-bromobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 45016585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).