(2-amino-4-fluorophenyl)-(3-hydroxyphenyl)methanone

C13H10FNO2 — CID 105489015

IUPAC(2-amino-4-fluorophenyl)-(3-hydroxyphenyl)methanone
SMILESNc1cc(F)ccc1C(=O)c1cccc(O)c1
InChIInChI=1S/C13H10FNO2/c14-9-4-5-11(12(15)7-9)13(17)8-2-1-3-10(16)6-8/h1-7,16H,15H2
InChIKeyLMNCERBNNCBGPS-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.34
Rot. Bonds2

About (2-amino-4-fluorophenyl)-(3-hydroxyphenyl)methanone

(2-amino-4-fluorophenyl)-(3-hydroxyphenyl)methanone (PubChem CID 105489015) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is (2-amino-4-fluorophenyl)-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-4-fluorophenyl)-(3-hydroxyphenyl)methanone
PubChem CID105489015
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name(2-amino-4-fluorophenyl)-(3-hydroxyphenyl)methanone
SMILESNc1cc(F)ccc1C(=O)c1cccc(O)c1
InChIInChI=1S/C13H10FNO2/c14-9-4-5-11(12(15)7-9)13(17)8-2-1-3-10(16)6-8/h1-7,16H,15H2
InChIKeyLMNCERBNNCBGPS-UHFFFAOYSA-N
XLogP2.34
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4-bromophenyl)-(3-fluorophenyl)methanone
CID 116591874
[2-[2-(3-fluorobenzoyl)phenoxy]phenyl]-(3-hydroxyphenyl)methanone
CID 139890668
2-amino-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733131
(2-amino-5-hydroxyphenyl)-(4-fluorophenyl)methanone
CID 105489008
(2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone
CID 113417691
(2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 113417701
(2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone
CID 82685979
(3-aminophenyl)-(2-fluoro-5-hydroxyphenyl)methanone
CID 10585593
[4-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate
CID 46884130
(2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone
CID 82684855
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(3-hydroxyphenyl)methanone
CID 70102797

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-fluorophenyl)-(3-hydroxyphenyl)methanone?
The IUPAC name of (2-amino-4-fluorophenyl)-(3-hydroxyphenyl)methanone (CID 105489015) is (2-amino-4-fluorophenyl)-(3-hydroxyphenyl)methanone.
What is the SMILES notation for (2-amino-4-fluorophenyl)-(3-hydroxyphenyl)methanone?
The canonical SMILES for (2-amino-4-fluorophenyl)-(3-hydroxyphenyl)methanone is Nc1cc(F)ccc1C(=O)c1cccc(O)c1.
What is the InChIKey of (2-amino-4-fluorophenyl)-(3-hydroxyphenyl)methanone?
The InChIKey is LMNCERBNNCBGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-9-4-5-11(12(15)7-9)13(17)8-2-1-3-10(16)6-8/h1-7,16H,15H2.
What are the key properties of (2-amino-4-fluorophenyl)-(3-hydroxyphenyl)methanone?
(2-amino-4-fluorophenyl)-(3-hydroxyphenyl)methanone has a molecular weight of 231.23 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-fluorophenyl)-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 105489015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).