3-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-4-fluoro-N-hydroxybenzamide

C14H8Cl2FN3O3 — CID 134459971

IUPAC3-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-4-fluoro-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(F)c(Nc2nc3cc(Cl)c(Cl)cc3o2)c1
InChIInChI=1S/C14H8Cl2FN3O3/c15-7-4-11-12(5-8(7)16)23-14(19-11)18-10-3-6(13(21)20-22)1-2-9(10)17/h1-5,22H,(H,18,19)(H,20,21)
InChIKeyGTFPHNVFCJNXBA-UHFFFAOYSA-N
MW356.14 g/mol
LogP4.14
Rot. Bonds3

About 3-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-4-fluoro-N-hydroxybenzamide

3-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-4-fluoro-N-hydroxybenzamide (PubChem CID 134459971) has the molecular formula C14H8Cl2FN3O3 and a molecular weight of 356.14 g/mol. Its IUPAC name is 3-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-4-fluoro-N-hydroxybenzamide.

Molecular Properties

Compound Name3-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-4-fluoro-N-hydroxybenzamide
PubChem CID134459971
Molecular FormulaC14H8Cl2FN3O3
Molecular Weight356.14 g/mol
Exact Mass354.99
IUPAC Name3-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-4-fluoro-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(F)c(Nc2nc3cc(Cl)c(Cl)cc3o2)c1
InChIInChI=1S/C14H8Cl2FN3O3/c15-7-4-11-12(5-8(7)16)23-14(19-11)18-10-3-6(13(21)20-22)1-2-9(10)17/h1-5,22H,(H,18,19)(H,20,21)
InChIKeyGTFPHNVFCJNXBA-UHFFFAOYSA-N
XLogP4.14
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.14
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N-hydroxy-1,3-benzoxazole-5-carboxamide
CID 129309352
5,6-dichloro-N-(4,5-dichloro-2-methoxyphenyl)-1,3-benzoxazol-2-amine
CID 139785868
N-(4-bromo-2-fluorophenyl)-5-chloro-1,3-benzoxazol-2-amine
CID 68802494
2-(2-bromo-4-fluoroanilino)-1,3-benzoxazole-6-carboxylic acid
CID 116690625
(2R)-2-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]propanoic acid
CID 70513213
4-chloro-N-hydroxybenzamide
CID 587178
(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine
CID 82230184
N-(3,4-difluorophenyl)-5,6-difluoro-1,3-benzoxazol-2-amine
CID 169001743
2-[4-(3-fluoro-4-hydroxyphenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide
CID 137199880
2-[4-(2-fluorophenyl)phenyl]-N-hydroxy-1,3-benzoxazole-5-carboxamide
CID 129283536
2-(2,5-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 57380288
3,4-dichloro-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 17110487

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-4-fluoro-N-hydroxybenzamide?
The IUPAC name of 3-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-4-fluoro-N-hydroxybenzamide (CID 134459971) is 3-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-4-fluoro-N-hydroxybenzamide.
What is the SMILES notation for 3-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-4-fluoro-N-hydroxybenzamide?
The canonical SMILES for 3-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-4-fluoro-N-hydroxybenzamide is O=C(NO)c1ccc(F)c(Nc2nc3cc(Cl)c(Cl)cc3o2)c1.
What is the InChIKey of 3-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-4-fluoro-N-hydroxybenzamide?
The InChIKey is GTFPHNVFCJNXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FN3O3/c15-7-4-11-12(5-8(7)16)23-14(19-11)18-10-3-6(13(21)20-22)1-2-9(10)17/h1-5,22H,(H,18,19)(H,20,21).
What are the key properties of 3-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-4-fluoro-N-hydroxybenzamide?
3-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-4-fluoro-N-hydroxybenzamide has a molecular weight of 356.14 g/mol, XLogP of 4.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dichloro-1,3-benzoxazol-2-yl)amino]-4-fluoro-N-hydroxybenzamide is sourced from PubChem (CID 134459971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).