N-(2-acetamidophenyl)-2-fluoroprop-2-enamide

C11H11FN2O2 — CID 167758508

IUPACN-(2-acetamidophenyl)-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)Nc1ccccc1NC(C)=O
InChIInChI=1S/C11H11FN2O2/c1-7(12)11(16)14-10-6-4-3-5-9(10)13-8(2)15/h3-6H,1H2,2H3,(H,13,15)(H,14,16)
InChIKeyXOCDVKKISDYKHF-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.07
Rot. Bonds3

About N-(2-acetamidophenyl)-2-fluoroprop-2-enamide

N-(2-acetamidophenyl)-2-fluoroprop-2-enamide (PubChem CID 167758508) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is N-(2-acetamidophenyl)-2-fluoroprop-2-enamide.

Molecular Properties

Compound NameN-(2-acetamidophenyl)-2-fluoroprop-2-enamide
PubChem CID167758508
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC NameN-(2-acetamidophenyl)-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)Nc1ccccc1NC(C)=O
InChIInChI=1S/C11H11FN2O2/c1-7(12)11(16)14-10-6-4-3-5-9(10)13-8(2)15/h3-6H,1H2,2H3,(H,13,15)(H,14,16)
InChIKeyXOCDVKKISDYKHF-UHFFFAOYSA-N
XLogP2.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methylamino)phenyl]acetamide
CID 22950987
N-[2-(2-methylprop-2-enyl)phenyl]acetamide
CID 102600118
N-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 167946081
N-benzyl-2-(2-fluoroprop-2-enoylamino)benzamide
CID 167862348
N-(2-acetamidophenyl)propanamide
CID 885895
(prop-1-en-2-ylamino) N-[2-[(prop-1-en-2-ylamino)oxycarbonylamino]phenyl]carbamate
CID 123328435
N-(2-acetamidophenyl)-3-fluorobenzamide
CID 877390
N-(2-ethylphenyl)-2-methylprop-2-enamide
CID 54544779
N-[2-(phenylcarbamoylamino)phenyl]acetamide
CID 113093680
N-[2-(methylideneamino)phenyl]acetamide
CID 134593356
N-(2-formylphenyl)-2-methylprop-2-enamide
CID 154120209
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidophenyl)-2-fluoroprop-2-enamide?
The IUPAC name of N-(2-acetamidophenyl)-2-fluoroprop-2-enamide (CID 167758508) is N-(2-acetamidophenyl)-2-fluoroprop-2-enamide.
What is the SMILES notation for N-(2-acetamidophenyl)-2-fluoroprop-2-enamide?
The canonical SMILES for N-(2-acetamidophenyl)-2-fluoroprop-2-enamide is C=C(F)C(=O)Nc1ccccc1NC(C)=O.
What is the InChIKey of N-(2-acetamidophenyl)-2-fluoroprop-2-enamide?
The InChIKey is XOCDVKKISDYKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-7(12)11(16)14-10-6-4-3-5-9(10)13-8(2)15/h3-6H,1H2,2H3,(H,13,15)(H,14,16).
What are the key properties of N-(2-acetamidophenyl)-2-fluoroprop-2-enamide?
N-(2-acetamidophenyl)-2-fluoroprop-2-enamide has a molecular weight of 222.22 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidophenyl)-2-fluoroprop-2-enamide is sourced from PubChem (CID 167758508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).