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

C15H9ClN4O4 — CID 134909786

IUPAC4-chloro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClN4O4/c16-10-7-5-9(6-8-10)13(21)17-15-19-18-14(24-15)11-3-1-2-4-12(11)20(22)23/h1-8H,(H,17,19,21)
InChIKeyVFDLBKITMIJIRB-UHFFFAOYSA-N
MW344.71 g/mol
LogP3.55
Rot. Bonds4

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

4-chloro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 134909786) has the molecular formula C15H9ClN4O4 and a molecular weight of 344.71 g/mol. Its IUPAC name is 4-chloro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID134909786
Molecular FormulaC15H9ClN4O4
Molecular Weight344.71 g/mol
Exact Mass344.03
IUPAC Name4-chloro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClN4O4/c16-10-7-5-9(6-8-10)13(21)17-15-19-18-14(24-15)11-3-1-2-4-12(11)20(22)23/h1-8H,(H,17,19,21)
InChIKeyVFDLBKITMIJIRB-UHFFFAOYSA-N
XLogP3.55
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.71
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686399
4-fluoro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686401
2,2-dimethyl-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 92686421
(E)-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 92686414
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dinitrobenzamide
CID 43977031
4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 8608540
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 4638672
2-[(4-chlorobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45017764
2,5-dichloro-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3546448
N-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(pentafluoro-λ6-sulfanyl)benzamide
CID 164839624
4-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972349
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 43976962

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 134909786) is 4-chloro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is VFDLBKITMIJIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O4/c16-10-7-5-9(6-8-10)13(21)17-15-19-18-14(24-15)11-3-1-2-4-12(11)20(22)23/h1-8H,(H,17,19,21).
What are the key properties of 4-chloro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-chloro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 344.71 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 134909786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).