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

C15H13F2NO2 — CID 81413663

IUPAC(2-amino-6-ethoxyphenyl)-(2,4-difluorophenyl)methanone
SMILESCCOc1cccc(N)c1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H13F2NO2/c1-2-20-13-5-3-4-12(18)14(13)15(19)10-7-6-9(16)8-11(10)17/h3-8H,2,18H2,1H3
InChIKeyMKMWMRLPFZZCEO-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.18
Rot. Bonds4

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

(2-amino-6-ethoxyphenyl)-(2,4-difluorophenyl)methanone (PubChem CID 81413663) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is (2-amino-6-ethoxyphenyl)-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-6-ethoxyphenyl)-(2,4-difluorophenyl)methanone
PubChem CID81413663
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name(2-amino-6-ethoxyphenyl)-(2,4-difluorophenyl)methanone
SMILESCCOc1cccc(N)c1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H13F2NO2/c1-2-20-13-5-3-4-12(18)14(13)15(19)10-7-6-9(16)8-11(10)17/h3-8H,2,18H2,1H3
InChIKeyMKMWMRLPFZZCEO-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': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-6-ethoxyphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 81397447
(2-amino-6-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 81413910
(2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81397099
2-amino-6-ethoxy-N-(4-fluoro-3-methylphenyl)benzamide
CID 81394860
(2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 81398066
2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide
CID 81395946
2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide
CID 81396147
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265
4-methylpentan-2-yl 2-amino-6-ethoxybenzoate
CID 81414693
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
(2,6-diethoxyphenyl)-(2-phosphanylphenyl)methanone
CID 18514772

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-ethoxyphenyl)-(2,4-difluorophenyl)methanone?
The IUPAC name of (2-amino-6-ethoxyphenyl)-(2,4-difluorophenyl)methanone (CID 81413663) is (2-amino-6-ethoxyphenyl)-(2,4-difluorophenyl)methanone.
What is the SMILES notation for (2-amino-6-ethoxyphenyl)-(2,4-difluorophenyl)methanone?
The canonical SMILES for (2-amino-6-ethoxyphenyl)-(2,4-difluorophenyl)methanone is CCOc1cccc(N)c1C(=O)c1ccc(F)cc1F.
What is the InChIKey of (2-amino-6-ethoxyphenyl)-(2,4-difluorophenyl)methanone?
The InChIKey is MKMWMRLPFZZCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-2-20-13-5-3-4-12(18)14(13)15(19)10-7-6-9(16)8-11(10)17/h3-8H,2,18H2,1H3.
What are the key properties of (2-amino-6-ethoxyphenyl)-(2,4-difluorophenyl)methanone?
(2-amino-6-ethoxyphenyl)-(2,4-difluorophenyl)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 (2-amino-6-ethoxyphenyl)-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 81413663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).