2-fluoro-5-methyl-N-[(E)-3-phenylprop-2-enoyl]benzamide

C17H14FNO2 — CID 163640166

IUPAC2-fluoro-5-methyl-N-[(E)-3-phenylprop-2-enoyl]benzamide
SMILESCc1ccc(F)c(C(=O)NC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C17H14FNO2/c1-12-7-9-15(18)14(11-12)17(21)19-16(20)10-8-13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20,21)/b10-8+
InChIKeyIDOKJDKZQYECIJ-CSKARUKUSA-N
MW283.30 g/mol
LogP3.10
Rot. Bonds3

About 2-fluoro-5-methyl-N-[(E)-3-phenylprop-2-enoyl]benzamide

2-fluoro-5-methyl-N-[(E)-3-phenylprop-2-enoyl]benzamide (PubChem CID 163640166) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[(E)-3-phenylprop-2-enoyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[(E)-3-phenylprop-2-enoyl]benzamide
PubChem CID163640166
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name2-fluoro-5-methyl-N-[(E)-3-phenylprop-2-enoyl]benzamide
SMILESCc1ccc(F)c(C(=O)NC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C17H14FNO2/c1-12-7-9-15(18)14(11-12)17(21)19-16(20)10-8-13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20,21)/b10-8+
InChIKeyIDOKJDKZQYECIJ-CSKARUKUSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[(E)-3-phenylprop-2-enoyl]benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-[(E)-3-phenylprop-2-enoyl]benzamide (CID 163640166) is 2-fluoro-5-methyl-N-[(E)-3-phenylprop-2-enoyl]benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-[(E)-3-phenylprop-2-enoyl]benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-[(E)-3-phenylprop-2-enoyl]benzamide is Cc1ccc(F)c(C(=O)NC(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[(E)-3-phenylprop-2-enoyl]benzamide?
The InChIKey is IDOKJDKZQYECIJ-CSKARUKUSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-12-7-9-15(18)14(11-12)17(21)19-16(20)10-8-13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20,21)/b10-8+.
What are the key properties of 2-fluoro-5-methyl-N-[(E)-3-phenylprop-2-enoyl]benzamide?
2-fluoro-5-methyl-N-[(E)-3-phenylprop-2-enoyl]benzamide has a molecular weight of 283.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[(E)-3-phenylprop-2-enoyl]benzamide is sourced from PubChem (CID 163640166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).