2-fluoro-N-prop-2-enylbenzamide

C10H10FNO — CID 4125319

IUPAC2-fluoro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1F
InChIInChI=1S/C10H10FNO/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h2-6H,1,7H2,(H,12,13)
InChIKeyZYYZJUBLQJWCLE-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.74
Rot. Bonds3

About 2-fluoro-N-prop-2-enylbenzamide

2-fluoro-N-prop-2-enylbenzamide (PubChem CID 4125319) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 2-fluoro-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-prop-2-enylbenzamide
PubChem CID4125319
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name2-fluoro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1F
InChIInChI=1S/C10H10FNO/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h2-6H,1,7H2,(H,12,13)
InChIKeyZYYZJUBLQJWCLE-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-fluoro-N-prop-2-enylbenzamide
CID 115678484
2,3-dihydroxy-N-prop-2-enylbenzamide
CID 67915131
4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706798
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
N-(2-bromoprop-2-enyl)-2-fluorobenzamide
CID 115594605
2-methylsulfonyl-N-prop-2-enylbenzamide
CID 31301978
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699
2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide
CID 113023833
2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
CID 6461650
2-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 2228922
2-(propan-2-ylamino)-N-prop-2-enylbenzamide
CID 63101364

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-prop-2-enylbenzamide?
The IUPAC name of 2-fluoro-N-prop-2-enylbenzamide (CID 4125319) is 2-fluoro-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-fluoro-N-prop-2-enylbenzamide?
The canonical SMILES for 2-fluoro-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-prop-2-enylbenzamide?
The InChIKey is ZYYZJUBLQJWCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h2-6H,1,7H2,(H,12,13).
What are the key properties of 2-fluoro-N-prop-2-enylbenzamide?
2-fluoro-N-prop-2-enylbenzamide has a molecular weight of 179.19 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-prop-2-enylbenzamide is sourced from PubChem (CID 4125319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).