N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide

C11H11FN2O4 — CID 112611670

IUPACN-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide
SMILESCC(Oc1c(F)cccc1C=O)C(=O)NC(N)=O
InChIInChI=1S/C11H11FN2O4/c1-6(10(16)14-11(13)17)18-9-7(5-15)3-2-4-8(9)12/h2-6H,1H3,(H3,13,14,16,17)
InChIKeyBHSKPUUUYRLCCF-UHFFFAOYSA-N
MW254.22 g/mol
LogP0.60
Rot. Bonds4

About N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide

N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide (PubChem CID 112611670) has the molecular formula C11H11FN2O4 and a molecular weight of 254.22 g/mol. Its IUPAC name is N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide
PubChem CID112611670
Molecular FormulaC11H11FN2O4
Molecular Weight254.22 g/mol
Exact Mass254.07
IUPAC NameN-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide
SMILESCC(Oc1c(F)cccc1C=O)C(=O)NC(N)=O
InChIInChI=1S/C11H11FN2O4/c1-6(10(16)14-11(13)17)18-9-7(5-15)3-2-4-8(9)12/h2-6H,1H3,(H3,13,14,16,17)
InChIKeyBHSKPUUUYRLCCF-UHFFFAOYSA-N
XLogP0.60
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide
CID 115955801
2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide
CID 112611593
2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide
CID 115955752
(2S)-N-carbamoyl-2-(2-fluorophenoxy)propanamide
CID 7815239
(E)-3-[3-fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]prop-2-enoic acid
CID 112614255
2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide
CID 112611177
N-carbamoyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]propanamide
CID 79882227
3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde
CID 112611562
2-(2-amino-6-fluorophenoxy)-N-methylpropanamide
CID 104831459
N-carbamoyl-2-[2-(hydroxymethyl)-6-methylphenoxy]propanamide
CID 112612470
2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide
CID 112608112
3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide
CID 112611550

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide?
The IUPAC name of N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide (CID 112611670) is N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide.
What is the SMILES notation for N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide?
The canonical SMILES for N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide is CC(Oc1c(F)cccc1C=O)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide?
The InChIKey is BHSKPUUUYRLCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4/c1-6(10(16)14-11(13)17)18-9-7(5-15)3-2-4-8(9)12/h2-6H,1H3,(H3,13,14,16,17).
What are the key properties of N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide?
N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide has a molecular weight of 254.22 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide is sourced from PubChem (CID 112611670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).