6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide

C19H13ClF3N5O4 — CID 25165136

IUPAC6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(C(=O)NO)ncn2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H13ClF3N5O4/c20-14-6-3-11(7-13(14)19(21,22)23)27-18(30)26-10-1-4-12(5-2-10)32-16-8-15(17(29)28-31)24-9-25-16/h1-9,31H,(H,28,29)(H2,26,27,30)
InChIKeyHMYKIWYJTDZUKH-UHFFFAOYSA-N
MW467.79 g/mol
LogP4.70
Rot. Bonds5

About 6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide

6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide (PubChem CID 25165136) has the molecular formula C19H13ClF3N5O4 and a molecular weight of 467.79 g/mol. Its IUPAC name is 6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide
PubChem CID25165136
Molecular FormulaC19H13ClF3N5O4
Molecular Weight467.79 g/mol
Exact Mass467.06
IUPAC Name6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(C(=O)NO)ncn2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H13ClF3N5O4/c20-14-6-3-11(7-13(14)19(21,22)23)27-18(30)26-10-1-4-12(5-2-10)32-16-8-15(17(29)28-31)24-9-25-16/h1-9,31H,(H,28,29)(H2,26,27,30)
InChIKeyHMYKIWYJTDZUKH-UHFFFAOYSA-N
XLogP4.70
TPSA125.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.79
LogP ≤ 54.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

CID 216239
CID 216239
CID 11167602
CID 11167602
CID 10151557
CID 10151557
CID 70701956
CID 70701956
CID 10152022
CID 10152022
CID 10195599
CID 10195599
CID 24768591
CID 24768591
CID 9826472
CID 9826472
CID 118731589
CID 118731589
CID 137659431
CID 137659431
CID 10217682
CID 10217682
CID 25062452
CID 25062452

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide?
The IUPAC name of 6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide (CID 25165136) is 6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide is O=C(Nc1ccc(Oc2cc(C(=O)NO)ncn2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide?
The InChIKey is HMYKIWYJTDZUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N5O4/c20-14-6-3-11(7-13(14)19(21,22)23)27-18(30)26-10-1-4-12(5-2-10)32-16-8-15(17(29)28-31)24-9-25-16/h1-9,31H,(H,28,29)(H2,26,27,30).
What are the key properties of 6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide?
6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide has a molecular weight of 467.79 g/mol, XLogP of 4.70, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-hydroxypyrimidine-4-carboxamide is sourced from PubChem (CID 25165136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).