(3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxyphenyl]methanone

C19H15FN2O3 — CID 150288307

IUPAC(3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxyphenyl]methanone
SMILESNc1cc(N)cc(C(=O)c2ccc(Oc3ccc(F)cc3)cc2O)c1
InChIInChI=1S/C19H15FN2O3/c20-12-1-3-15(4-2-12)25-16-5-6-17(18(23)10-16)19(24)11-7-13(21)9-14(22)8-11/h1-10,23H,21-22H2
InChIKeyGHAVFSGIAYXARQ-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.72
Rot. Bonds4

About (3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxyphenyl]methanone

(3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxyphenyl]methanone (PubChem CID 150288307) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is (3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxyphenyl]methanone.

Molecular Properties

Compound Name(3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxyphenyl]methanone
PubChem CID150288307
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name(3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxyphenyl]methanone
SMILESNc1cc(N)cc(C(=O)c2ccc(Oc3ccc(F)cc3)cc2O)c1
InChIInChI=1S/C19H15FN2O3/c20-12-1-3-15(4-2-12)25-16-5-6-17(18(23)10-16)19(24)11-7-13(21)9-14(22)8-11/h1-10,23H,21-22H2
InChIKeyGHAVFSGIAYXARQ-UHFFFAOYSA-N
XLogP3.72
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxy-6-methoxyphenyl]methanone
CID 151234813
bis(4-fluoro-2-hydroxyphenyl)methanone
CID 125469613
(4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone
CID 88685403
2-chloro-4-[3-(4-fluorophenoxy)phenoxy]benzamide
CID 141362722
4-(4-fluorophenoxy)benzamide
CID 22142233
(2,4-difluorophenyl)-(4-phenoxyphenyl)methanone
CID 146007872
(3,5-diaminophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103304686
(3,5-diaminophenyl)-[2-hydroxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 69012650
3-amino-5-[4-(3-amino-5-carboxyphenoxy)phenoxy]benzoic acid
CID 139816364
1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone
CID 166874046
2-hydroxy-4-(4-iodophenoxy)benzoic acid
CID 164953547
(2-amino-5-hydroxyphenyl)-(4-fluorophenyl)methanone
CID 105489008

Frequently Asked Questions

What is the IUPAC name of (3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxyphenyl]methanone?
The IUPAC name of (3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxyphenyl]methanone (CID 150288307) is (3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxyphenyl]methanone.
What is the SMILES notation for (3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxyphenyl]methanone?
The canonical SMILES for (3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxyphenyl]methanone is Nc1cc(N)cc(C(=O)c2ccc(Oc3ccc(F)cc3)cc2O)c1.
What is the InChIKey of (3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxyphenyl]methanone?
The InChIKey is GHAVFSGIAYXARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c20-12-1-3-15(4-2-12)25-16-5-6-17(18(23)10-16)19(24)11-7-13(21)9-14(22)8-11/h1-10,23H,21-22H2.
What are the key properties of (3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxyphenyl]methanone?
(3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxyphenyl]methanone has a molecular weight of 338.34 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxyphenyl]methanone is sourced from PubChem (CID 150288307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).