2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide

C17H15FN2O2 — CID 6461650

IUPAC2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C17H15FN2O2/c1-2-10-19-17(22)14-8-3-4-9-15(14)20-16(21)12-6-5-7-13(18)11-12/h2-9,11H,1,10H2,(H,19,22)(H,20,21)
InChIKeyYNCNNGLDTLTSSF-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.99
Rot. Bonds5

About 2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide

2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide (PubChem CID 6461650) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
PubChem CID6461650
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C17H15FN2O2/c1-2-10-19-17(22)14-8-3-4-9-15(14)20-16(21)12-6-5-7-13(18)11-12/h2-9,11H,1,10H2,(H,19,22)(H,20,21)
InChIKeyYNCNNGLDTLTSSF-UHFFFAOYSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 9245587
2-[(3-fluorobenzoyl)amino]-N-propylbenzamide
CID 8002041
2-[[2-(3-fluorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide
CID 18158401
2-[[3-(benzenesulfonamido)benzoyl]amino]-N-prop-2-enylbenzamide
CID 41448837
1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 47849771
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
2-[[3-(3-methylbutoxy)benzoyl]amino]-N-prop-2-enylbenzamide
CID 4981734
4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706798
4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 34746636
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039
2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 24529652
N-[(2R)-butan-2-yl]-2-[(3-fluorobenzoyl)amino]benzamide
CID 26706214

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide (CID 6461650) is 2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)c1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide?
The InChIKey is YNCNNGLDTLTSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-2-10-19-17(22)14-8-3-4-9-15(14)20-16(21)12-6-5-7-13(18)11-12/h2-9,11H,1,10H2,(H,19,22)(H,20,21).
What are the key properties of 2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide?
2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide has a molecular weight of 298.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 6461650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).