2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide

C25H21F2NO2 — CID 87056899

IUPAC2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide
SMILESCc1ccc2c(c1)C(c1ccc(NC(=O)c3c(F)cccc3F)cc1)=CC(C)(C)O2
InChIInChI=1S/C25H21F2NO2/c1-15-7-12-22-18(13-15)19(14-25(2,3)30-22)16-8-10-17(11-9-16)28-24(29)23-20(26)5-4-6-21(23)27/h4-14H,1-3H3,(H,28,29)
InChIKeyZHVJVOSPEHEZAV-UHFFFAOYSA-N
MW405.44 g/mol
LogP6.13
Rot. Bonds3

About 2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide

2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide (PubChem CID 87056899) has the molecular formula C25H21F2NO2 and a molecular weight of 405.44 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide
PubChem CID87056899
Molecular FormulaC25H21F2NO2
Molecular Weight405.44 g/mol
Exact Mass405.15
IUPAC Name2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide
SMILESCc1ccc2c(c1)C(c1ccc(NC(=O)c3c(F)cccc3F)cc1)=CC(C)(C)O2
InChIInChI=1S/C25H21F2NO2/c1-15-7-12-22-18(13-15)19(14-25(2,3)30-22)16-8-10-17(11-9-16)28-24(29)23-20(26)5-4-6-21(23)27/h4-14H,1-3H3,(H,28,29)
InChIKeyZHVJVOSPEHEZAV-UHFFFAOYSA-N
XLogP6.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.44
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
methyl 4-(2,6-difluorophenyl)-2,2-dimethylchromene-6-carboxylate
CID 58406516
(2,6-difluorophenyl)-[4-[2-(methoxymethyl)-2,6-dimethylchromen-4-yl]anilino]methanol
CID 123975330
2,6-difluoro-N-[4-(6-methylquinolin-2-yl)phenyl]benzamide
CID 46376177
N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide
CID 70311383
N-[5-(4-acetamidophenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2,6-difluorobenzamide
CID 25016806
N-[4-(2,5-dichlorophenyl)phenyl]-2,6-difluorobenzamide
CID 11222663
N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
CID 2526988
N-(2-bromo-4-methylphenyl)-2,6-difluorobenzamide
CID 24689737
4-[5-[2,2-dimethyl-4-(4-methylphenyl)chromen-6-yl]-1H-pyrrol-2-yl]-2-hydroxybenzoic acid
CID 166055275
2,6-difluoro-N-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)phenyl]benzamide
CID 87056586
3-[3-[4-[(2,6-difluorobenzoyl)amino]phenyl]-4-methylphenyl]-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 67515366

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide (CID 87056899) is 2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide is Cc1ccc2c(c1)C(c1ccc(NC(=O)c3c(F)cccc3F)cc1)=CC(C)(C)O2.
What is the InChIKey of 2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide?
The InChIKey is ZHVJVOSPEHEZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2NO2/c1-15-7-12-22-18(13-15)19(14-25(2,3)30-22)16-8-10-17(11-9-16)28-24(29)23-20(26)5-4-6-21(23)27/h4-14H,1-3H3,(H,28,29).
What are the key properties of 2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide?
2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide has a molecular weight of 405.44 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide is sourced from PubChem (CID 87056899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).