ethane;N'-(2-fluoro-4-methylphenyl)-3-oxopropanimidamide;methoxyethane

C15H25FN2O2 — CID 143666986

IUPACethane;N'-(2-fluoro-4-methylphenyl)-3-oxopropanimidamide;methoxyethane
SMILESCC.CCOC.Cc1ccc(/N=C(/N)CC=O)c(F)c1
InChIInChI=1S/C10H11FN2O.C3H8O.C2H6/c1-7-2-3-9(8(11)6-7)13-10(12)4-5-14;1-3-4-2;1-2/h2-3,5-6H,4H2,1H3,(H2,12,13);3H2,1-2H3;1-2H3
InChIKeyKDSIDUUKCKTTDN-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.39
Rot. Bonds4

About ethane;N'-(2-fluoro-4-methylphenyl)-3-oxopropanimidamide;methoxyethane

ethane;N'-(2-fluoro-4-methylphenyl)-3-oxopropanimidamide;methoxyethane (PubChem CID 143666986) has the molecular formula C15H25FN2O2 and a molecular weight of 284.38 g/mol. Its IUPAC name is ethane;N'-(2-fluoro-4-methylphenyl)-3-oxopropanimidamide;methoxyethane.

Molecular Properties

Compound Nameethane;N'-(2-fluoro-4-methylphenyl)-3-oxopropanimidamide;methoxyethane
PubChem CID143666986
Molecular FormulaC15H25FN2O2
Molecular Weight284.38 g/mol
Exact Mass284.19
IUPAC Nameethane;N'-(2-fluoro-4-methylphenyl)-3-oxopropanimidamide;methoxyethane
SMILESCC.CCOC.Cc1ccc(/N=C(/N)CC=O)c(F)c1
InChIInChI=1S/C10H11FN2O.C3H8O.C2H6/c1-7-2-3-9(8(11)6-7)13-10(12)4-5-14;1-3-4-2;1-2/h2-3,5-6H,4H2,1H3,(H2,12,13);3H2,1-2H3;1-2H3
InChIKeyKDSIDUUKCKTTDN-UHFFFAOYSA-N
XLogP3.39
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2-fluoro-4-methylphenyl)cyclopropanecarboximidamide
CID 63178403
N'-(2-fluoro-4-methylphenyl)-6-methylpyridine-3-carboximidamide
CID 134569619
2-methoxyethyl 2-fluoro-4-methylbenzoate
CID 79872980
2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
CID 169365317
1-amino-2-(2-fluoro-4-methylphenyl)-3-phenylguanidine
CID 116512637
ethyl 2-fluoro-5-methylbenzoate;2-fluoro-5-methylbenzoic acid
CID 158020470
ethyl 2,2-difluoro-2-(2-fluoro-4-methylphenyl)acetate
CID 141413645
ethane;2-fluoro-1,4-dimethylbenzene;propane
CID 144971037
ethane;1-fluoro-2,4-dimethylbenzene;formamide
CID 143812517
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
ethyl 3-(2,4-difluoroanilino)-3-(2,4-difluorophenyl)iminopropanoate
CID 91743651
2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide
CID 79796029

Frequently Asked Questions

What is the IUPAC name of ethane;N'-(2-fluoro-4-methylphenyl)-3-oxopropanimidamide;methoxyethane?
The IUPAC name of ethane;N'-(2-fluoro-4-methylphenyl)-3-oxopropanimidamide;methoxyethane (CID 143666986) is ethane;N'-(2-fluoro-4-methylphenyl)-3-oxopropanimidamide;methoxyethane.
What is the SMILES notation for ethane;N'-(2-fluoro-4-methylphenyl)-3-oxopropanimidamide;methoxyethane?
The canonical SMILES for ethane;N'-(2-fluoro-4-methylphenyl)-3-oxopropanimidamide;methoxyethane is CC.CCOC.Cc1ccc(/N=C(/N)CC=O)c(F)c1.
What is the InChIKey of ethane;N'-(2-fluoro-4-methylphenyl)-3-oxopropanimidamide;methoxyethane?
The InChIKey is KDSIDUUKCKTTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O.C3H8O.C2H6/c1-7-2-3-9(8(11)6-7)13-10(12)4-5-14;1-3-4-2;1-2/h2-3,5-6H,4H2,1H3,(H2,12,13);3H2,1-2H3;1-2H3.
What are the key properties of ethane;N'-(2-fluoro-4-methylphenyl)-3-oxopropanimidamide;methoxyethane?
ethane;N'-(2-fluoro-4-methylphenyl)-3-oxopropanimidamide;methoxyethane has a molecular weight of 284.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-(2-fluoro-4-methylphenyl)-3-oxopropanimidamide;methoxyethane is sourced from PubChem (CID 143666986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).