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

C17H9ClN4O4 — CID 5302332

IUPAC2-chloro-N-[4-(1,3-dioxoisoindol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESO=C(Nc1nonc1N1C(=O)c2ccccc2C1=O)c1ccccc1Cl
InChIInChI=1S/C17H9ClN4O4/c18-12-8-4-3-7-11(12)15(23)19-13-14(21-26-20-13)22-16(24)9-5-1-2-6-10(9)17(22)25/h1-8H,(H,19,20,23)
InChIKeyVUJXPPAVBGXTLO-UHFFFAOYSA-N
MW368.74 g/mol
LogP2.78
Rot. Bonds3

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

2-chloro-N-[4-(1,3-dioxoisoindol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide (PubChem CID 5302332) has the molecular formula C17H9ClN4O4 and a molecular weight of 368.74 g/mol. Its IUPAC name is 2-chloro-N-[4-(1,3-dioxoisoindol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(1,3-dioxoisoindol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
PubChem CID5302332
Molecular FormulaC17H9ClN4O4
Molecular Weight368.74 g/mol
Exact Mass368.03
IUPAC Name2-chloro-N-[4-(1,3-dioxoisoindol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESO=C(Nc1nonc1N1C(=O)c2ccccc2C1=O)c1ccccc1Cl
InChIInChI=1S/C17H9ClN4O4/c18-12-8-4-3-7-11(12)15(23)19-13-14(21-26-20-13)22-16(24)9-5-1-2-6-10(9)17(22)25/h1-8H,(H,19,20,23)
InChIKeyVUJXPPAVBGXTLO-UHFFFAOYSA-N
XLogP2.78
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(1,3-dioxoisoindol-2-yl)-1,2,5-oxadiazol-3-yl]-3-phenylurea
CID 5299785
N-[4-[(2-chlorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]adamantane-1-carboxamide
CID 4917164
2-chloro-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
CID 594100
N-[4-(2-chlorophenyl)-1,2,5-oxadiazol-3-yl]acetamide
CID 158160308
2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-1,2,5-oxadiazol-3-yl]isoindole-1,3-dione
CID 7348154
N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide
CID 78793939
2-chloro-N-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]benzamide
CID 20546757
N-[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]naphthalene-1-carboxamide
CID 5153626
N-(2-aminophenyl)-2-chlorobenzamide
CID 684680
2-chloro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide
CID 67407982
2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433364
2-chloro-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
CID 168516613

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(1,3-dioxoisoindol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[4-(1,3-dioxoisoindol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide (CID 5302332) is 2-chloro-N-[4-(1,3-dioxoisoindol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(1,3-dioxoisoindol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(1,3-dioxoisoindol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide is O=C(Nc1nonc1N1C(=O)c2ccccc2C1=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(1,3-dioxoisoindol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide?
The InChIKey is VUJXPPAVBGXTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClN4O4/c18-12-8-4-3-7-11(12)15(23)19-13-14(21-26-20-13)22-16(24)9-5-1-2-6-10(9)17(22)25/h1-8H,(H,19,20,23).
What are the key properties of 2-chloro-N-[4-(1,3-dioxoisoindol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide?
2-chloro-N-[4-(1,3-dioxoisoindol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide has a molecular weight of 368.74 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(1,3-dioxoisoindol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 5302332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).