2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide

C10H14FNO2 — CID 143665533

IUPAC2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide
SMILESCONC(=O)CC1=CC=C(F)C(C)C1
InChIInChI=1S/C10H14FNO2/c1-7-5-8(3-4-9(7)11)6-10(13)12-14-2/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyMCFAZOBILPNUDV-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.87
Rot. Bonds3

About 2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide

2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide (PubChem CID 143665533) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide.

Molecular Properties

Compound Name2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide
PubChem CID143665533
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide
SMILESCONC(=O)CC1=CC=C(F)C(C)C1
InChIInChI=1S/C10H14FNO2/c1-7-5-8(3-4-9(7)11)6-10(13)12-14-2/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyMCFAZOBILPNUDV-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methoxyacetamide
CID 110611766
5-[[4,6-bis[5-(methoxyamino)-5-oxopentoxy]-1,3,5-triazin-2-yl]oxy]-N-methoxypentanamide
CID 90074306
2-(4-butylphenyl)-N-methoxyacetamide
CID 60701248
2-(2,5-dimethylpyrrolidin-1-yl)-N-methoxyacetamide
CID 131155453
3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
CID 88925294
tert-butyl N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]carbamate
CID 33104899
N-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 43054605
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide
CID 33102586
3-[[4,6-bis[[3-(methoxyamino)-3-oxopropyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-methoxypropanamide
CID 90074450
2-(2,5-dimethoxyphenyl)-N-methoxyacetamide
CID 78829398
2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methoxy-N-methylacetamide
CID 146388908
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide?
The IUPAC name of 2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide (CID 143665533) is 2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide.
What is the SMILES notation for 2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide?
The canonical SMILES for 2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide is CONC(=O)CC1=CC=C(F)C(C)C1.
What is the InChIKey of 2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide?
The InChIKey is MCFAZOBILPNUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-7-5-8(3-4-9(7)11)6-10(13)12-14-2/h3-4,7H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide?
2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide has a molecular weight of 199.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide is sourced from PubChem (CID 143665533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).