4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-fluorobenzamide

C16H12ClFN4O2 — CID 75426714

IUPAC4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-fluorobenzamide
SMILESNC(=O)c1ccc(NCc2nnc(-c3cccc(Cl)c3)o2)cc1F
InChIInChI=1S/C16H12ClFN4O2/c17-10-3-1-2-9(6-10)16-22-21-14(24-16)8-20-11-4-5-12(15(19)23)13(18)7-11/h1-7,20H,8H2,(H2,19,23)
InChIKeyOKVUEMJHEFFMIY-UHFFFAOYSA-N
MW346.75 g/mol
LogP3.24
Rot. Bonds5

About 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-fluorobenzamide

4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-fluorobenzamide (PubChem CID 75426714) has the molecular formula C16H12ClFN4O2 and a molecular weight of 346.75 g/mol. Its IUPAC name is 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-fluorobenzamide
PubChem CID75426714
Molecular FormulaC16H12ClFN4O2
Molecular Weight346.75 g/mol
Exact Mass346.06
IUPAC Name4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-fluorobenzamide
SMILESNC(=O)c1ccc(NCc2nnc(-c3cccc(Cl)c3)o2)cc1F
InChIInChI=1S/C16H12ClFN4O2/c17-10-3-1-2-9(6-10)16-22-21-14(24-16)8-20-11-4-5-12(15(19)23)13(18)7-11/h1-7,20H,8H2,(H2,19,23)
InChIKeyOKVUEMJHEFFMIY-UHFFFAOYSA-N
XLogP3.24
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide
CID 110652353
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,3,4-trifluoroaniline
CID 110652399
3-bromo-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652371
2,4-dichloro-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652386
4-chloro-3-fluoro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 62132332
2-bromo-N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652370
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 78793084
4-chloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 14567182
[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylphosphonic acid
CID 155254162
2-fluoro-4-[[3-(4-methylphenyl)phenyl]methylamino]benzamide
CID 100629563
4-chloro-2-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]benzamide
CID 99589110
3-fluoro-N-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-pyrazol-1-ylaniline
CID 167912532

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-fluorobenzamide?
The IUPAC name of 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-fluorobenzamide (CID 75426714) is 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-fluorobenzamide.
What is the SMILES notation for 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-fluorobenzamide?
The canonical SMILES for 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-fluorobenzamide is NC(=O)c1ccc(NCc2nnc(-c3cccc(Cl)c3)o2)cc1F.
What is the InChIKey of 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-fluorobenzamide?
The InChIKey is OKVUEMJHEFFMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O2/c17-10-3-1-2-9(6-10)16-22-21-14(24-16)8-20-11-4-5-12(15(19)23)13(18)7-11/h1-7,20H,8H2,(H2,19,23).
What are the key properties of 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-fluorobenzamide?
4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-fluorobenzamide has a molecular weight of 346.75 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-fluorobenzamide is sourced from PubChem (CID 75426714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).