(3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone

C15H13F2NO2 — CID 79773002

IUPAC(3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2c(F)ccc(N)c2F)cc1
InChIInChI=1S/C15H13F2NO2/c1-2-20-10-5-3-9(4-6-10)15(19)13-11(16)7-8-12(18)14(13)17/h3-8H,2,18H2,1H3
InChIKeyZNHAHQFIXZQXHZ-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.18
Rot. Bonds4

About (3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone

(3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone (PubChem CID 79773002) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone
PubChem CID79773002
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name(3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2c(F)ccc(N)c2F)cc1
InChIInChI=1S/C15H13F2NO2/c1-2-20-10-5-3-9(4-6-10)15(19)13-11(16)7-8-12(18)14(13)17/h3-8H,2,18H2,1H3
InChIKeyZNHAHQFIXZQXHZ-UHFFFAOYSA-N
XLogP3.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-amino-2,6-difluorobenzoate
CID 23137423
(3-amino-2,6-difluorophenyl)-phenylmethanone
CID 79772791
butyl 3-amino-2,6-difluorobenzoate
CID 70315596
4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide
CID 62679243
(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561120
(3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 79773205
1-(3-amino-2,6-difluorophenyl)-2-chloroethanone
CID 171017114
propan-2-yl 3-amino-2,6-difluorobenzoate
CID 79772995
(4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone
CID 116609755
(3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone
CID 64712585
(4-amino-6-chloropyrimidin-5-yl)-(4-ethoxyphenyl)methanone
CID 164662800
4-amino-3-(4-ethoxyphenyl)benzoic acid
CID 82299861

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone?
The IUPAC name of (3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone (CID 79773002) is (3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone.
What is the SMILES notation for (3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone?
The canonical SMILES for (3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2c(F)ccc(N)c2F)cc1.
What is the InChIKey of (3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone?
The InChIKey is ZNHAHQFIXZQXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-2-20-10-5-3-9(4-6-10)15(19)13-11(16)7-8-12(18)14(13)17/h3-8H,2,18H2,1H3.
What are the key properties of (3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone?
(3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone has a molecular weight of 277.27 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-difluorophenyl)-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 79773002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).