2-[6-[(2,6-difluorobenzoyl)amino]-3,4-dihydro-2H-naphthalen-1-ylidene]propyl acetate

C22H21F2NO3 — CID 72539786

IUPAC2-[6-[(2,6-difluorobenzoyl)amino]-3,4-dihydro-2H-naphthalen-1-ylidene]propyl acetate
SMILESCC(=O)OCC(C)=C1CCCc2cc(NC(=O)c3c(F)cccc3F)ccc21
InChIInChI=1S/C22H21F2NO3/c1-13(12-28-14(2)26)17-6-3-5-15-11-16(9-10-18(15)17)25-22(27)21-19(23)7-4-8-20(21)24/h4,7-11H,3,5-6,12H2,1-2H3,(H,25,27)
InChIKeyCYQXWTNQBVNWEN-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.89
Rot. Bonds4

About 2-[6-[(2,6-difluorobenzoyl)amino]-3,4-dihydro-2H-naphthalen-1-ylidene]propyl acetate

2-[6-[(2,6-difluorobenzoyl)amino]-3,4-dihydro-2H-naphthalen-1-ylidene]propyl acetate (PubChem CID 72539786) has the molecular formula C22H21F2NO3 and a molecular weight of 385.41 g/mol. Its IUPAC name is 2-[6-[(2,6-difluorobenzoyl)amino]-3,4-dihydro-2H-naphthalen-1-ylidene]propyl acetate.

Molecular Properties

Compound Name2-[6-[(2,6-difluorobenzoyl)amino]-3,4-dihydro-2H-naphthalen-1-ylidene]propyl acetate
PubChem CID72539786
Molecular FormulaC22H21F2NO3
Molecular Weight385.41 g/mol
Exact Mass385.15
IUPAC Name2-[6-[(2,6-difluorobenzoyl)amino]-3,4-dihydro-2H-naphthalen-1-ylidene]propyl acetate
SMILESCC(=O)OCC(C)=C1CCCc2cc(NC(=O)c3c(F)cccc3F)ccc21
InChIInChI=1S/C22H21F2NO3/c1-13(12-28-14(2)26)17-6-3-5-15-11-16(9-10-18(15)17)25-22(27)21-19(23)7-4-8-20(21)24/h4,7-11H,3,5-6,12H2,1-2H3,(H,25,27)
InChIKeyCYQXWTNQBVNWEN-UHFFFAOYSA-N
XLogP4.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[6-[(2,6-difluorobenzoyl)amino]-3,4-dihydro-2H-naphthalen-1-ylidene]propyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(4-acetamidophenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2,6-difluorobenzamide
CID 25016806
N-(4-cyclopropyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-13-yl)-2,6-difluorobenzamide
CID 59738049
2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657910
N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
CID 61240247
N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide
CID 26212684
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide
CID 2810385
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940
N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
CID 2526988
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,6-difluorobenzamide
CID 18565104
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide
CID 16926960
[(E)-3-[4-[(2,6-difluorobenzoyl)amino]phenyl]but-2-en-2-yl] acetate
CID 58992446
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2,6-difluorobenzoyl)amino]-3,4-dihydro-2H-naphthalen-1-ylidene]propyl acetate?
The IUPAC name of 2-[6-[(2,6-difluorobenzoyl)amino]-3,4-dihydro-2H-naphthalen-1-ylidene]propyl acetate (CID 72539786) is 2-[6-[(2,6-difluorobenzoyl)amino]-3,4-dihydro-2H-naphthalen-1-ylidene]propyl acetate.
What is the SMILES notation for 2-[6-[(2,6-difluorobenzoyl)amino]-3,4-dihydro-2H-naphthalen-1-ylidene]propyl acetate?
The canonical SMILES for 2-[6-[(2,6-difluorobenzoyl)amino]-3,4-dihydro-2H-naphthalen-1-ylidene]propyl acetate is CC(=O)OCC(C)=C1CCCc2cc(NC(=O)c3c(F)cccc3F)ccc21.
What is the InChIKey of 2-[6-[(2,6-difluorobenzoyl)amino]-3,4-dihydro-2H-naphthalen-1-ylidene]propyl acetate?
The InChIKey is CYQXWTNQBVNWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2NO3/c1-13(12-28-14(2)26)17-6-3-5-15-11-16(9-10-18(15)17)25-22(27)21-19(23)7-4-8-20(21)24/h4,7-11H,3,5-6,12H2,1-2H3,(H,25,27).
What are the key properties of 2-[6-[(2,6-difluorobenzoyl)amino]-3,4-dihydro-2H-naphthalen-1-ylidene]propyl acetate?
2-[6-[(2,6-difluorobenzoyl)amino]-3,4-dihydro-2H-naphthalen-1-ylidene]propyl acetate has a molecular weight of 385.41 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2,6-difluorobenzoyl)amino]-3,4-dihydro-2H-naphthalen-1-ylidene]propyl acetate is sourced from PubChem (CID 72539786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).