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

C13H9ClFNO2 — CID 125473497

IUPAC(2-amino-3-chloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone
SMILESNc1c(C(=O)c2ccccc2F)ccc(O)c1Cl
InChIInChI=1S/C13H9ClFNO2/c14-11-10(17)6-5-8(12(11)16)13(18)7-3-1-2-4-9(7)15/h1-6,17H,16H2
InChIKeyVKTCJKLVBWFDPS-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.00
Rot. Bonds2

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

(2-amino-3-chloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone (PubChem CID 125473497) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is (2-amino-3-chloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-3-chloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone
PubChem CID125473497
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name(2-amino-3-chloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone
SMILESNc1c(C(=O)c2ccccc2F)ccc(O)c1Cl
InChIInChI=1S/C13H9ClFNO2/c14-11-10(17)6-5-8(12(11)16)13(18)7-3-1-2-4-9(7)15/h1-6,17H,16H2
InChIKeyVKTCJKLVBWFDPS-UHFFFAOYSA-N
XLogP3.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.00
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

(2,3-dichloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone
CID 13015711
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035
(2-bromo-4-chlorophenyl)-(2-fluorophenyl)methanone
CID 107996260
(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517
(2,5-diaminophenyl)-(2-fluorophenyl)methanone
CID 526486
(3-aminonaphthalen-2-yl)-(2-fluorophenyl)methanone
CID 116560369
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanone
CID 114965969
2,3-dichloro-4-[(E)-C-(2-fluorophenyl)-N-hydroxycarbonimidoyl]phenol
CID 137239062
(2,6-dichloro-5-fluoro-3-pyridinyl)-(2-fluorophenyl)methanone;2-hydroxybenzamide
CID 174633098
(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301189
(2,4-difluorophenyl)-(2-hydroxyphenyl)methanone
CID 11310853

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-chloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone?
The IUPAC name of (2-amino-3-chloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone (CID 125473497) is (2-amino-3-chloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (2-amino-3-chloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone?
The canonical SMILES for (2-amino-3-chloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone is Nc1c(C(=O)c2ccccc2F)ccc(O)c1Cl.
What is the InChIKey of (2-amino-3-chloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone?
The InChIKey is VKTCJKLVBWFDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-11-10(17)6-5-8(12(11)16)13(18)7-3-1-2-4-9(7)15/h1-6,17H,16H2.
What are the key properties of (2-amino-3-chloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone?
(2-amino-3-chloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone has a molecular weight of 265.67 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-chloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 125473497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).