(3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxy-6-methoxyphenyl]methanone

C20H17FN2O4 — CID 151234813

IUPAC(3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxy-6-methoxyphenyl]methanone
SMILESCOc1cc(Oc2ccc(F)cc2)cc(O)c1C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C20H17FN2O4/c1-26-18-10-16(27-15-4-2-12(21)3-5-15)9-17(24)19(18)20(25)11-6-13(22)8-14(23)7-11/h2-10,24H,22-23H2,1H3
InChIKeyNPAXGYGVQJFFQR-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.73
Rot. Bonds5

About (3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxy-6-methoxyphenyl]methanone

(3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxy-6-methoxyphenyl]methanone (PubChem CID 151234813) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is (3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxy-6-methoxyphenyl]methanone.

Molecular Properties

Compound Name(3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxy-6-methoxyphenyl]methanone
PubChem CID151234813
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name(3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxy-6-methoxyphenyl]methanone
SMILESCOc1cc(Oc2ccc(F)cc2)cc(O)c1C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C20H17FN2O4/c1-26-18-10-16(27-15-4-2-12(21)3-5-15)9-17(24)19(18)20(25)11-6-13(22)8-14(23)7-11/h2-10,24H,22-23H2,1H3
InChIKeyNPAXGYGVQJFFQR-UHFFFAOYSA-N
XLogP3.73
TPSA107.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxyphenyl]methanone
CID 150288307
(2E,4Z)-5-chloro-5-(4-fluorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)penta-2,4-dien-1-one
CID 46702898
4-(4-fluorophenoxy)benzamide
CID 22142233
4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid
CID 170440928
benzene-1,4-diol;bis(4-fluorophenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone
CID 158296808
4-(4-fluorophenoxy)-3-methoxybenzoic acid
CID 170440931
methyl 4-[[6-amino-4-(4-fluorophenoxy)-2-pyridinyl]oxy]benzoate
CID 155783187
4-(4-fluorophenoxy)-2-methoxybenzaldehyde
CID 174997678
(2-hydroxy-4,6-dimethoxyphenyl)-(2-iodo-4,5-dimethoxyphenyl)methanone
CID 72947607
3-amino-5-[4-(3-amino-5-carboxyphenoxy)phenoxy]benzoic acid
CID 139816364
(3,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 79020458
(E)-3-[4-(4-fluorophenoxy)phenyl]-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
CID 129220919

Frequently Asked Questions

What is the IUPAC name of (3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxy-6-methoxyphenyl]methanone?
The IUPAC name of (3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxy-6-methoxyphenyl]methanone (CID 151234813) is (3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxy-6-methoxyphenyl]methanone.
What is the SMILES notation for (3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxy-6-methoxyphenyl]methanone?
The canonical SMILES for (3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxy-6-methoxyphenyl]methanone is COc1cc(Oc2ccc(F)cc2)cc(O)c1C(=O)c1cc(N)cc(N)c1.
What is the InChIKey of (3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxy-6-methoxyphenyl]methanone?
The InChIKey is NPAXGYGVQJFFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-26-18-10-16(27-15-4-2-12(21)3-5-15)9-17(24)19(18)20(25)11-6-13(22)8-14(23)7-11/h2-10,24H,22-23H2,1H3.
What are the key properties of (3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxy-6-methoxyphenyl]methanone?
(3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxy-6-methoxyphenyl]methanone has a molecular weight of 368.36 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxy-6-methoxyphenyl]methanone is sourced from PubChem (CID 151234813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).