N-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide

C15H18FNO3 — CID 115955712

IUPACN-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide
SMILESO=Cc1cccc(F)c1OCC(=O)NC1CCCCC1
InChIInChI=1S/C15H18FNO3/c16-13-8-4-5-11(9-18)15(13)20-10-14(19)17-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10H2,(H,17,19)
InChIKeyULZRAYKUMSWPDG-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.47
Rot. Bonds5

About N-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide

N-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide (PubChem CID 115955712) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide
PubChem CID115955712
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC NameN-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide
SMILESO=Cc1cccc(F)c1OCC(=O)NC1CCCCC1
InChIInChI=1S/C15H18FNO3/c16-13-8-4-5-11(9-18)15(13)20-10-14(19)17-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10H2,(H,17,19)
InChIKeyULZRAYKUMSWPDG-UHFFFAOYSA-N
XLogP2.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-formyl-6-methoxyphenoxy)-N-(oxan-4-yl)acetamide
CID 63097655
2-(3-chloro-2-formylphenoxy)-N-cycloheptylacetamide
CID 62573467
4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid
CID 79884320
N-cyclohexyl-2-(3,4-difluorophenoxy)acetamide
CID 78767908
N-cyclopentyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 79888270
[2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 23932612
N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 9218083
N-cyclohexyl-2-(2,6-difluoroanilino)acetamide
CID 28879040
3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide
CID 112611550
3-amino-2-[2-(cyclohexylamino)-2-oxoethoxy]benzoic acid
CID 107077355
N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide
CID 63324573
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide?
The IUPAC name of N-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide (CID 115955712) is N-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide?
The canonical SMILES for N-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide is O=Cc1cccc(F)c1OCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide?
The InChIKey is ULZRAYKUMSWPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-13-8-4-5-11(9-18)15(13)20-10-14(19)17-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10H2,(H,17,19).
What are the key properties of N-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide?
N-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide has a molecular weight of 279.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide is sourced from PubChem (CID 115955712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).