4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-(3,5-dimethylphenyl)-N-methylbenzamide

C28H27F2NO3 — CID 147984854

IUPAC4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-(3,5-dimethylphenyl)-N-methylbenzamide
SMILESCC(=O)C(F)(F)c1ccc(CC(=O)Cc2ccc(C(=O)N(C)c3cc(C)cc(C)c3)cc2)cc1
InChIInChI=1S/C28H27F2NO3/c1-18-13-19(2)15-25(14-18)31(4)27(34)23-9-5-21(6-10-23)16-26(33)17-22-7-11-24(12-8-22)28(29,30)20(3)32/h5-15H,16-17H2,1-4H3
InChIKeyITYCULNFJOSFQJ-UHFFFAOYSA-N
MW463.52 g/mol
LogP5.62
Rot. Bonds8

About 4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-(3,5-dimethylphenyl)-N-methylbenzamide

4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-(3,5-dimethylphenyl)-N-methylbenzamide (PubChem CID 147984854) has the molecular formula C28H27F2NO3 and a molecular weight of 463.52 g/mol. Its IUPAC name is 4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-(3,5-dimethylphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-(3,5-dimethylphenyl)-N-methylbenzamide
PubChem CID147984854
Molecular FormulaC28H27F2NO3
Molecular Weight463.52 g/mol
Exact Mass463.20
IUPAC Name4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-(3,5-dimethylphenyl)-N-methylbenzamide
SMILESCC(=O)C(F)(F)c1ccc(CC(=O)Cc2ccc(C(=O)N(C)c3cc(C)cc(C)c3)cc2)cc1
InChIInChI=1S/C28H27F2NO3/c1-18-13-19(2)15-25(14-18)31(4)27(34)23-9-5-21(6-10-23)16-26(33)17-22-7-11-24(12-8-22)28(29,30)20(3)32/h5-15H,16-17H2,1-4H3
InChIKeyITYCULNFJOSFQJ-UHFFFAOYSA-N
XLogP5.62
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.52
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[4-[(2S)-1,1-difluoro-2-hydroxypropyl]phenyl]-2-oxopropyl]-N-(3,5-dimethylphenyl)-N-methylbenzamide
CID 157103639
N-(2-chloro-4-methylphenyl)-4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-methylbenzamide
CID 146841030
4-[[2-[4-[(2S)-1,1-difluoro-2-hydroxypropyl]phenyl]acetyl]amino]-N-(3,5-dimethylphenyl)-N-methylbenzamide
CID 135306711
4-(benzenesulfonylmethyl)-N-(3,5-dimethylphenyl)-N-methylbenzamide
CID 55916827
[4-(1,1-difluoro-2-oxopropyl)phenyl]methylcarbamic acid
CID 134309125
N-(3,5-dimethylphenyl)-4-hydrazinyl-N-methylbenzamide
CID 62247328
N-(4-chloro-2-methylphenyl)-4-[3-[4-(1,1-difluoro-2-hydroxypropyl)phenyl]-2-oxopropyl]-N-methylbenzamide
CID 158434636
N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide
CID 63979948
3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide
CID 62001591
3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide
CID 47314027
N-(1,3-benzodioxol-5-yl)-N-methyl-4-(trifluoromethyl)benzamide
CID 110752701
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
CID 63409816

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-(3,5-dimethylphenyl)-N-methylbenzamide?
The IUPAC name of 4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-(3,5-dimethylphenyl)-N-methylbenzamide (CID 147984854) is 4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-(3,5-dimethylphenyl)-N-methylbenzamide.
What is the SMILES notation for 4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-(3,5-dimethylphenyl)-N-methylbenzamide?
The canonical SMILES for 4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-(3,5-dimethylphenyl)-N-methylbenzamide is CC(=O)C(F)(F)c1ccc(CC(=O)Cc2ccc(C(=O)N(C)c3cc(C)cc(C)c3)cc2)cc1.
What is the InChIKey of 4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-(3,5-dimethylphenyl)-N-methylbenzamide?
The InChIKey is ITYCULNFJOSFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2NO3/c1-18-13-19(2)15-25(14-18)31(4)27(34)23-9-5-21(6-10-23)16-26(33)17-22-7-11-24(12-8-22)28(29,30)20(3)32/h5-15H,16-17H2,1-4H3.
What are the key properties of 4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-(3,5-dimethylphenyl)-N-methylbenzamide?
4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-(3,5-dimethylphenyl)-N-methylbenzamide has a molecular weight of 463.52 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-(3,5-dimethylphenyl)-N-methylbenzamide is sourced from PubChem (CID 147984854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).