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

C22H15ClFN3O2 — CID 20960250

IUPAC3-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESO=C(NC(c1nnc(-c2ccccc2)o1)c1ccccc1F)c1cccc(Cl)c1
InChIInChI=1S/C22H15ClFN3O2/c23-16-10-6-9-15(13-16)20(28)25-19(17-11-4-5-12-18(17)24)22-27-26-21(29-22)14-7-2-1-3-8-14/h1-13,19H,(H,25,28)
InChIKeyICLFWXRIGOVJDX-UHFFFAOYSA-N
MW407.83 g/mol
LogP5.05
Rot. Bonds5

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

3-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 20960250) has the molecular formula C22H15ClFN3O2 and a molecular weight of 407.83 g/mol. Its IUPAC name is 3-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID20960250
Molecular FormulaC22H15ClFN3O2
Molecular Weight407.83 g/mol
Exact Mass407.08
IUPAC Name3-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESO=C(NC(c1nnc(-c2ccccc2)o1)c1ccccc1F)c1cccc(Cl)c1
InChIInChI=1S/C22H15ClFN3O2/c23-16-10-6-9-15(13-16)20(28)25-19(17-11-4-5-12-18(17)24)22-27-26-21(29-22)14-7-2-1-3-8-14/h1-13,19H,(H,25,28)
InChIKeyICLFWXRIGOVJDX-UHFFFAOYSA-N
XLogP5.05
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.83
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 92711123
N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 92711139
5-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 22434124
5-chloro-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 92700778
N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 92711135
N-[(S)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 92711110
N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methoxybenzamide
CID 28814350
3-(2-chlorophenyl)-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 92711128
4-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 20944456
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-methoxybenzamide
CID 17252091
5-bromo-N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-methoxybenzamide
CID 92700770
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 20960141

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 20960250) is 3-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is O=C(NC(c1nnc(-c2ccccc2)o1)c1ccccc1F)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is ICLFWXRIGOVJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O2/c23-16-10-6-9-15(13-16)20(28)25-19(17-11-4-5-12-18(17)24)22-27-26-21(29-22)14-7-2-1-3-8-14/h1-13,19H,(H,25,28).
What are the key properties of 3-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
3-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 407.83 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 20960250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).