2-chloro-6-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline

C13H7Cl2FN2O — CID 107051419

IUPAC2-chloro-6-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline
SMILESNc1c(Cl)cccc1-c1nc2cc(F)cc(Cl)c2o1
InChIInChI=1S/C13H7Cl2FN2O/c14-8-3-1-2-7(11(8)17)13-18-10-5-6(16)4-9(15)12(10)19-13/h1-5H,17H2
InChIKeyLNGQETNFEKAQNF-UHFFFAOYSA-N
MW297.12 g/mol
LogP4.52
Rot. Bonds1

About 2-chloro-6-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline

2-chloro-6-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline (PubChem CID 107051419) has the molecular formula C13H7Cl2FN2O and a molecular weight of 297.12 g/mol. Its IUPAC name is 2-chloro-6-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline
PubChem CID107051419
Molecular FormulaC13H7Cl2FN2O
Molecular Weight297.12 g/mol
Exact Mass295.99
IUPAC Name2-chloro-6-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline
SMILESNc1c(Cl)cccc1-c1nc2cc(F)cc(Cl)c2o1
InChIInChI=1S/C13H7Cl2FN2O/c14-8-3-1-2-7(11(8)17)13-18-10-5-6(16)4-9(15)12(10)19-13/h1-5H,17H2
InChIKeyLNGQETNFEKAQNF-UHFFFAOYSA-N
XLogP4.52
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5,7-dichloro-1,3-benzoxazol-2-yl)-6-fluoroaniline
CID 107676426
2,4-dichloro-6-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline
CID 107676133
3-chloro-2-(5,7-dichloro-1,3-benzoxazol-2-yl)aniline
CID 107676323
2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 107051373
7-chloro-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine
CID 82233186
[2-(3-bromo-2-fluorophenyl)-7-chloro-1,3-benzoxazol-5-yl]methanol
CID 162715061
3-(7-chloro-1,3-benzoxazol-2-yl)-5-methylthiophen-2-amine
CID 81434012
5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole
CID 94980518
7-chloro-2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 94980359
2-[4-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine
CID 107496537
3-(7-chloro-1,3-benzoxazol-2-yl)-5-ethylthiophen-2-amine
CID 81434294
4-(7-chloro-1,3-benzoxazol-2-yl)-3-methoxyaniline
CID 107209324

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline?
The IUPAC name of 2-chloro-6-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline (CID 107051419) is 2-chloro-6-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline.
What is the SMILES notation for 2-chloro-6-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline?
The canonical SMILES for 2-chloro-6-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline is Nc1c(Cl)cccc1-c1nc2cc(F)cc(Cl)c2o1.
What is the InChIKey of 2-chloro-6-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline?
The InChIKey is LNGQETNFEKAQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2O/c14-8-3-1-2-7(11(8)17)13-18-10-5-6(16)4-9(15)12(10)19-13/h1-5H,17H2.
What are the key properties of 2-chloro-6-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline?
2-chloro-6-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline has a molecular weight of 297.12 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(7-chloro-5-fluoro-1,3-benzoxazol-2-yl)aniline is sourced from PubChem (CID 107051419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).