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

C22H15Cl2N3O2 — CID 73050832

IUPAC3-chloro-N-[(4-chlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1nc(-c2ccccc2)no1)c1cccc(Cl)c1
InChIInChI=1S/C22H15Cl2N3O2/c23-17-11-9-14(10-12-17)19(25-21(28)16-7-4-8-18(24)13-16)22-26-20(27-29-22)15-5-2-1-3-6-15/h1-13,19H,(H,25,28)
InChIKeyMZABBVSVZCWSRO-UHFFFAOYSA-N
MW424.29 g/mol
LogP5.56
Rot. Bonds5

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

3-chloro-N-[(4-chlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 73050832) has the molecular formula C22H15Cl2N3O2 and a molecular weight of 424.29 g/mol. Its IUPAC name is 3-chloro-N-[(4-chlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-chlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID73050832
Molecular FormulaC22H15Cl2N3O2
Molecular Weight424.29 g/mol
Exact Mass423.05
IUPAC Name3-chloro-N-[(4-chlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1nc(-c2ccccc2)no1)c1cccc(Cl)c1
InChIInChI=1S/C22H15Cl2N3O2/c23-17-11-9-14(10-12-17)19(25-21(28)16-7-4-8-18(24)13-16)22-26-20(27-29-22)15-5-2-1-3-6-15/h1-13,19H,(H,25,28)
InChIKeyMZABBVSVZCWSRO-UHFFFAOYSA-N
XLogP5.56
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.29
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(4-ethylphenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 73050839
3,4-dichloro-N-[(3,4-dichlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 73050827
3,5-dichloro-N-[(3,4-difluorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 130288636
6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 73050826
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
CID 17101518
6-chloro-N-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine
CID 121264246
N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methoxybenzamide
CID 28814350
N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide
CID 973229
2-chloro-N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]benzamide
CID 91635121
N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083223
3-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 20960250

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-chlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(4-chlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 73050832) is 3-chloro-N-[(4-chlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(4-chlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(4-chlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is O=C(NC(c1ccc(Cl)cc1)c1nc(-c2ccccc2)no1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(4-chlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is MZABBVSVZCWSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O2/c23-17-11-9-14(10-12-17)19(25-21(28)16-7-4-8-18(24)13-16)22-26-20(27-29-22)15-5-2-1-3-6-15/h1-13,19H,(H,25,28).
What are the key properties of 3-chloro-N-[(4-chlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
3-chloro-N-[(4-chlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 424.29 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-chlorophenyl)-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 73050832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).