2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide

C19H20F2N2O2 — CID 108574241

IUPAC2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
SMILESCc1ccc(CCC(=O)NCCNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H20F2N2O2/c1-13-2-4-14(5-3-13)6-9-18(24)22-10-11-23-19(25)16-8-7-15(20)12-17(16)21/h2-5,7-8,12H,6,9-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyVSDYOZGTIIHREQ-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.75
Rot. Bonds7

About 2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide

2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide (PubChem CID 108574241) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
PubChem CID108574241
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
SMILESCc1ccc(CCC(=O)NCCNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H20F2N2O2/c1-13-2-4-14(5-3-13)6-9-18(24)22-10-11-23-19(25)16-8-7-15(20)12-17(16)21/h2-5,7-8,12H,6,9-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyVSDYOZGTIIHREQ-UHFFFAOYSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 108574502
5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108540869
2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 46586720
2-iodo-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108539180
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide
CID 108573126
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 24660004
2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573742
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide
CID 55974318
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 34485300
3-(4-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 100530141

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide (CID 108574241) is 2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide is Cc1ccc(CCC(=O)NCCNC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide?
The InChIKey is VSDYOZGTIIHREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-13-2-4-14(5-3-13)6-9-18(24)22-10-11-23-19(25)16-8-7-15(20)12-17(16)21/h2-5,7-8,12H,6,9-11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide?
2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide has a molecular weight of 346.38 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide is sourced from PubChem (CID 108574241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).