5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-N-(3,4-dichlorophenyl)-2-(2,2-difluoroethoxy)benzamide

C30H25Cl3F5NO4 — CID 58483269

IUPAC5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-N-(3,4-dichlorophenyl)-2-(2,2-difluoroethoxy)benzamide
SMILESCC(C)(C(=O)CCc1ccc(Cl)c(C(=O)Cc2ccc(OCC(F)F)c(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)c1)C(F)(F)F
InChIInChI=1S/C30H25Cl3F5NO4/c1-29(2,30(36,37)38)26(41)10-5-16-3-7-21(31)19(11-16)24(40)13-17-4-9-25(43-15-27(34)35)20(12-17)28(42)39-18-6-8-22(32)23(33)14-18/h3-4,6-9,11-12,14,27H,5,10,13,15H2,1-2H3,(H,39,42)
InChIKeyPIFGDKPVMWFUBI-UHFFFAOYSA-N
MW664.88 g/mol
LogP9.06
Rot. Bonds12

About 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-N-(3,4-dichlorophenyl)-2-(2,2-difluoroethoxy)benzamide

5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-N-(3,4-dichlorophenyl)-2-(2,2-difluoroethoxy)benzamide (PubChem CID 58483269) has the molecular formula C30H25Cl3F5NO4 and a molecular weight of 664.88 g/mol. Its IUPAC name is 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-N-(3,4-dichlorophenyl)-2-(2,2-difluoroethoxy)benzamide.

Molecular Properties

Compound Name5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-N-(3,4-dichlorophenyl)-2-(2,2-difluoroethoxy)benzamide
PubChem CID58483269
Molecular FormulaC30H25Cl3F5NO4
Molecular Weight664.88 g/mol
Exact Mass663.08
IUPAC Name5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-N-(3,4-dichlorophenyl)-2-(2,2-difluoroethoxy)benzamide
SMILESCC(C)(C(=O)CCc1ccc(Cl)c(C(=O)Cc2ccc(OCC(F)F)c(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)c1)C(F)(F)F
InChIInChI=1S/C30H25Cl3F5NO4/c1-29(2,30(36,37)38)26(41)10-5-16-3-7-21(31)19(11-16)24(40)13-17-4-9-25(43-15-27(34)35)20(12-17)28(42)39-18-6-8-22(32)23(33)14-18/h3-4,6-9,11-12,14,27H,5,10,13,15H2,1-2H3,(H,39,42)
InChIKeyPIFGDKPVMWFUBI-UHFFFAOYSA-N
XLogP9.06
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.88
LogP ≤ 59.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-N-(3,4-dichlorophenyl)-2-(2,2-difluoroethoxy)benzamide with MolForge

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Related Compounds

N-(3-chloro-4-pyridinyl)-5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)benzamide
CID 58483388
5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(2,2,3,3,3-pentafluoropropyl)benzamide
CID 58483264
N-(4-bromophenyl)-5-[2-[2-chloro-5-(5,5,5-trifluoro-4-hydroxy-4-methyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)benzamide
CID 58483435
N-(4-chloro-2-methoxyphenyl)-5-[2-[2,6-dichloro-3-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)benzamide
CID 58483438
5-[2-[2,6-dichloro-3-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)-N-(3,3,3-trifluoropropyl)benzamide
CID 58483404
N-(4-bromophenyl)-5-[2-[2-chloro-5-[3-(1-cyanocyclopropyl)-3-oxopropyl]phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)benzamide
CID 58483349
N-(4-bromophenyl)-5-[2-[2-chloro-5-[3-(2-methyloxolan-2-yl)-3-oxopropyl]phenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)benzamide
CID 58483259
N-(4-bromophenyl)-5-[2-[2-chloro-3-(4,4-dimethyl-3-oxopentyl)-6-fluorophenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)benzamide
CID 58483352
2-chloro-N-[4-(2,2-difluoroethoxy)-3-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-5-[[(3,3,3-trifluoro-2,2-dimethylpropanoyl)amino]methyl]benzamide
CID 88896828
2-chloro-N-[4-(2,2-difluoroethoxy)-3-[(4-methylphenyl)carbamoyl]phenyl]-5-[[(3,3,3-trifluoro-2-hydroxypropanoyl)amino]methyl]benzamide
CID 88958667
5-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]-2-(2,2-difluoroethoxy)benzoic acid
CID 86658668
2-chloro-N-[4-(2,2-difluoroethoxy)-3-(oxan-3-ylmethylcarbamoyl)phenyl]-5-[[(3,3,3-trifluoro-2,2-dimethylpropanoyl)amino]methyl]benzamide
CID 88896909

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-N-(3,4-dichlorophenyl)-2-(2,2-difluoroethoxy)benzamide?
The IUPAC name of 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-N-(3,4-dichlorophenyl)-2-(2,2-difluoroethoxy)benzamide (CID 58483269) is 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-N-(3,4-dichlorophenyl)-2-(2,2-difluoroethoxy)benzamide.
What is the SMILES notation for 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-N-(3,4-dichlorophenyl)-2-(2,2-difluoroethoxy)benzamide?
The canonical SMILES for 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-N-(3,4-dichlorophenyl)-2-(2,2-difluoroethoxy)benzamide is CC(C)(C(=O)CCc1ccc(Cl)c(C(=O)Cc2ccc(OCC(F)F)c(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)c1)C(F)(F)F.
What is the InChIKey of 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-N-(3,4-dichlorophenyl)-2-(2,2-difluoroethoxy)benzamide?
The InChIKey is PIFGDKPVMWFUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25Cl3F5NO4/c1-29(2,30(36,37)38)26(41)10-5-16-3-7-21(31)19(11-16)24(40)13-17-4-9-25(43-15-27(34)35)20(12-17)28(42)39-18-6-8-22(32)23(33)14-18/h3-4,6-9,11-12,14,27H,5,10,13,15H2,1-2H3,(H,39,42).
What are the key properties of 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-N-(3,4-dichlorophenyl)-2-(2,2-difluoroethoxy)benzamide?
5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-N-(3,4-dichlorophenyl)-2-(2,2-difluoroethoxy)benzamide has a molecular weight of 664.88 g/mol, XLogP of 9.06, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-chloro-5-(5,5,5-trifluoro-4,4-dimethyl-3-oxopentyl)phenyl]-2-oxoethyl]-N-(3,4-dichlorophenyl)-2-(2,2-difluoroethoxy)benzamide is sourced from PubChem (CID 58483269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).