(2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone

C16H16FNO3 — CID 104659443

IUPAC(2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccccc1C(=O)c1cc(F)ccc1N
InChIInChI=1S/C16H16FNO3/c1-20-8-9-21-15-5-3-2-4-12(15)16(19)13-10-11(17)6-7-14(13)18/h2-7,10H,8-9,18H2,1H3
InChIKeyDFSGQKWMBQZQKE-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.66
Rot. Bonds6

About (2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone

(2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone (PubChem CID 104659443) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
PubChem CID104659443
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name(2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccccc1C(=O)c1cc(F)ccc1N
InChIInChI=1S/C16H16FNO3/c1-20-8-9-21-15-5-3-2-4-12(15)16(19)13-10-11(17)6-7-14(13)18/h2-7,10H,8-9,18H2,1H3
InChIKeyDFSGQKWMBQZQKE-UHFFFAOYSA-N
XLogP2.66
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 116591872
(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659113
(5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 105128321
(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107977350
(2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107984617
(4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone
CID 104659409
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide
CID 104561759
5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarbothioamide
CID 104561810
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
(3-fluoro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659417
(2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107502643
(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107101821

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The IUPAC name of (2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone (CID 104659443) is (2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone is COCCOc1ccccc1C(=O)c1cc(F)ccc1N.
What is the InChIKey of (2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The InChIKey is DFSGQKWMBQZQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-20-8-9-21-15-5-3-2-4-12(15)16(19)13-10-11(17)6-7-14(13)18/h2-7,10H,8-9,18H2,1H3.
What are the key properties of (2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
(2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone has a molecular weight of 289.31 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone is sourced from PubChem (CID 104659443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).