N-(1-fluoroprop-2-enyl)benzamide

C10H10FNO — CID 69227826

IUPACN-(1-fluoroprop-2-enyl)benzamide
SMILESC=CC(F)NC(=O)c1ccccc1
InChIInChI=1S/C10H10FNO/c1-2-9(11)12-10(13)8-6-4-3-5-7-8/h2-7,9H,1H2,(H,12,13)
InChIKeyAPJZQBXZLFPETA-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.90
Rot. Bonds3

About N-(1-fluoroprop-2-enyl)benzamide

N-(1-fluoroprop-2-enyl)benzamide (PubChem CID 69227826) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is N-(1-fluoroprop-2-enyl)benzamide.

Molecular Properties

Compound NameN-(1-fluoroprop-2-enyl)benzamide
PubChem CID69227826
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC NameN-(1-fluoroprop-2-enyl)benzamide
SMILESC=CC(F)NC(=O)c1ccccc1
InChIInChI=1S/C10H10FNO/c1-2-9(11)12-10(13)8-6-4-3-5-7-8/h2-7,9H,1H2,(H,12,13)
InChIKeyAPJZQBXZLFPETA-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminoprop-2-enyl)benzamide
CID 69046323
N-[(1S,2R)-2-hydroxy-1-phenylbut-3-enyl]benzamide
CID 57161994
N-[(2S,3S)-1,3-dihydroxypent-4-en-2-yl]benzamide
CID 165345561
2,2-dibenzamidoacetic acid
CID 12521150
N-[1-(1,3-dioxoisoindol-2-yl)prop-2-enyl]benzamide
CID 132517578
N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
CID 1101094
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
N-[(2R)-1-oxopropan-2-yl]benzamide
CID 59710359
ethyl 3-benzamidopent-4-enoate
CID 10514640
N-[(1R)-1-(4-fluorophenyl)but-3-enyl]benzamide
CID 101454749
N-(1,2-diphenylpent-4-enyl)benzamide
CID 2794125
prop-2-enyl 2-benzamidopropanoate
CID 2910482

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoroprop-2-enyl)benzamide?
The IUPAC name of N-(1-fluoroprop-2-enyl)benzamide (CID 69227826) is N-(1-fluoroprop-2-enyl)benzamide.
What is the SMILES notation for N-(1-fluoroprop-2-enyl)benzamide?
The canonical SMILES for N-(1-fluoroprop-2-enyl)benzamide is C=CC(F)NC(=O)c1ccccc1.
What is the InChIKey of N-(1-fluoroprop-2-enyl)benzamide?
The InChIKey is APJZQBXZLFPETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-2-9(11)12-10(13)8-6-4-3-5-7-8/h2-7,9H,1H2,(H,12,13).
What are the key properties of N-(1-fluoroprop-2-enyl)benzamide?
N-(1-fluoroprop-2-enyl)benzamide has a molecular weight of 179.19 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoroprop-2-enyl)benzamide is sourced from PubChem (CID 69227826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).