(2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone

C14H11F2NO2 — CID 107469180

IUPAC(2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone
SMILESCOc1cccc(C(=O)c2cc(F)cc(F)c2)c1N
InChIInChI=1S/C14H11F2NO2/c1-19-12-4-2-3-11(13(12)17)14(18)8-5-9(15)7-10(16)6-8/h2-7H,17H2,1H3
InChIKeyPQKQCSWTUNZIFR-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.79
Rot. Bonds3

About (2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone

(2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone (PubChem CID 107469180) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is (2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone
PubChem CID107469180
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name(2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone
SMILESCOc1cccc(C(=O)c2cc(F)cc(F)c2)c1N
InChIInChI=1S/C14H11F2NO2/c1-19-12-4-2-3-11(13(12)17)14(18)8-5-9(15)7-10(16)6-8/h2-7H,17H2,1H3
InChIKeyPQKQCSWTUNZIFR-UHFFFAOYSA-N
XLogP2.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
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-3-methoxyphenyl)-phenylmethanone
CID 18185399
(3,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 79020458
(2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 105118811
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164240
(2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 107469289
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone
CID 82684855
(2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107469285
(2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 107469288
(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 105078663
2-amino-1-(2-amino-3-methoxyphenyl)ethanone
CID 105438693
(4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone
CID 105056470

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone?
The IUPAC name of (2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone (CID 107469180) is (2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone.
What is the SMILES notation for (2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone?
The canonical SMILES for (2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone is COc1cccc(C(=O)c2cc(F)cc(F)c2)c1N.
What is the InChIKey of (2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone?
The InChIKey is PQKQCSWTUNZIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-19-12-4-2-3-11(13(12)17)14(18)8-5-9(15)7-10(16)6-8/h2-7H,17H2,1H3.
What are the key properties of (2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone?
(2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone has a molecular weight of 263.24 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 107469180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).