N-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-methoxybenzamide

C16H12ClN3O4 — CID 135895153

IUPACN-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2-c2noc(=O)[nH]2)cc1
InChIInChI=1S/C16H12ClN3O4/c1-23-11-5-2-9(3-6-11)15(21)18-13-8-10(17)4-7-12(13)14-19-16(22)24-20-14/h2-8H,1H3,(H,18,21)(H,19,20,22)
InChIKeyVBFGKOVQTDQDSN-UHFFFAOYSA-N
MW345.74 g/mol
LogP2.94
Rot. Bonds4

About N-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-methoxybenzamide

N-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-methoxybenzamide (PubChem CID 135895153) has the molecular formula C16H12ClN3O4 and a molecular weight of 345.74 g/mol. Its IUPAC name is N-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-methoxybenzamide
PubChem CID135895153
Molecular FormulaC16H12ClN3O4
Molecular Weight345.74 g/mol
Exact Mass345.05
IUPAC NameN-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2-c2noc(=O)[nH]2)cc1
InChIInChI=1S/C16H12ClN3O4/c1-23-11-5-2-9(3-6-11)15(21)18-13-8-10(17)4-7-12(13)14-19-16(22)24-20-14/h2-8H,1H3,(H,18,21)(H,19,20,22)
InChIKeyVBFGKOVQTDQDSN-UHFFFAOYSA-N
XLogP2.94
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.74
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxamide
CID 135896368
N-(2-bromo-5-chlorophenyl)-4-methoxybenzamide
CID 81271849
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55343832
N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide
CID 112987245
N-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252836
3-[4-[(3,5-dichloro-2-hydroxyanilino)methyl]-2-methoxyphenyl]-4H-1,2,4-oxadiazol-5-one
CID 146342469
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
N-[3-chloro-5-[(4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 68786791
3-amino-N-(5-chloro-2-fluorophenyl)-5-methoxybenzamide
CID 78985100
4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid
CID 46916164
4-[[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 25355176
6-chloro-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26267192

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-methoxybenzamide (CID 135895153) is N-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(Cl)ccc2-c2noc(=O)[nH]2)cc1.
What is the InChIKey of N-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-methoxybenzamide?
The InChIKey is VBFGKOVQTDQDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O4/c1-23-11-5-2-9(3-6-11)15(21)18-13-8-10(17)4-7-12(13)14-19-16(22)24-20-14/h2-8H,1H3,(H,18,21)(H,19,20,22).
What are the key properties of N-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-methoxybenzamide?
N-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-methoxybenzamide has a molecular weight of 345.74 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 135895153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).