3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide

C18H17FN2O2 — CID 108574693

IUPAC3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
SMILESO=C(/C=C/c1ccccc1)NCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C18H17FN2O2/c19-16-8-4-7-15(13-16)18(23)21-12-11-20-17(22)10-9-14-5-2-1-3-6-14/h1-10,13H,11-12H2,(H,20,22)(H,21,23)/b10-9+
InChIKeyATNRZJHTXNARBI-MDZDMXLPSA-N
MW312.34 g/mol
LogP2.39
Rot. Bonds6

About 3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide

3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide (PubChem CID 108574693) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
PubChem CID108574693
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
SMILESO=C(/C=C/c1ccccc1)NCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C18H17FN2O2/c19-16-8-4-7-15(13-16)18(23)21-12-11-20-17(22)10-9-14-5-2-1-3-6-14/h1-10,13H,11-12H2,(H,20,22)(H,21,23)/b10-9+
InChIKeyATNRZJHTXNARBI-MDZDMXLPSA-N
XLogP2.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108571411
N-[2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]ethyl]pyridine-3-carboxamide
CID 39580063
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
3,4,5-trihydroxy-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108571729
(E)-N-[2-(3-fluorophenoxy)ethyl]-3-phenylprop-2-enamide
CID 35103917
[3-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethylcarbamoyl]phenyl] acetate
CID 108926980
2,3,4-trifluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108574409
3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 4810838
(E)-3-(3-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 108932618
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]-2-(trifluoromethyl)benzamide
CID 108573647
[3-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]propylcarbamoyl]phenyl] acetate
CID 108929501
3-fluoro-N-[3-[[3-(3-fluorophenyl)prop-2-enoylamino]methyl]phenyl]benzamide
CID 55894437

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide (CID 108574693) is 3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide is O=C(/C=C/c1ccccc1)NCCNC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide?
The InChIKey is ATNRZJHTXNARBI-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-16-8-4-7-15(13-16)18(23)21-12-11-20-17(22)10-9-14-5-2-1-3-6-14/h1-10,13H,11-12H2,(H,20,22)(H,21,23)/b10-9+.
What are the key properties of 3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide?
3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide has a molecular weight of 312.34 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide is sourced from PubChem (CID 108574693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).