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

C15H11ClFN3O — CID 103818606

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESFc1ccc(CNc2ccc(-c3nnco3)cc2)c(Cl)c1
InChIInChI=1S/C15H11ClFN3O/c16-14-7-12(17)4-1-11(14)8-18-13-5-2-10(3-6-13)15-20-19-9-21-15/h1-7,9,18H,8H2
InChIKeyVVYBGJLLTNVCTR-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.14
Rot. Bonds4

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

N-[(2-chloro-4-fluorophenyl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 103818606) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID103818606
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESFc1ccc(CNc2ccc(-c3nnco3)cc2)c(Cl)c1
InChIInChI=1S/C15H11ClFN3O/c16-14-7-12(17)4-1-11(14)8-18-13-5-2-10(3-6-13)15-20-19-9-21-15/h1-7,9,18H,8H2
InChIKeyVVYBGJLLTNVCTR-UHFFFAOYSA-N
XLogP4.14
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol
CID 29031159
4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 30051350
4-(1,3,4-oxadiazol-2-yl)-N-(pyridin-4-ylmethyl)aniline
CID 28713238
3,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoroaniline
CID 107573826
2-methyl-6-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol
CID 115903751
N-[(3-chloro-5-fluorophenyl)methyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 114452239
N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
CID 28555155
N-[(2-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxyaniline
CID 28969852
3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline
CID 107364885
N-[(5-ethylfuran-2-yl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 62346309
N-[(2-chloro-4-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054679
4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 103605319

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline (CID 103818606) is N-[(2-chloro-4-fluorophenyl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline is Fc1ccc(CNc2ccc(-c3nnco3)cc2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is VVYBGJLLTNVCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c16-14-7-12(17)4-1-11(14)8-18-13-5-2-10(3-6-13)15-20-19-9-21-15/h1-7,9,18H,8H2.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
N-[(2-chloro-4-fluorophenyl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 303.72 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-4-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 103818606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).