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

C31H27Cl3F5NO5 — CID 58483438

IUPACN-(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
SMILESCOc1cc(Cl)ccc1NC(=O)c1cc(CC(=O)c2c(Cl)ccc(CCC(=O)C(C)(C)C(F)(F)F)c2Cl)ccc1OCC(F)F
InChIInChI=1S/C31H27Cl3F5NO5/c1-30(2,31(37,38)39)25(42)11-6-17-5-8-20(33)27(28(17)34)22(41)13-16-4-10-23(45-15-26(35)36)19(12-16)29(43)40-21-9-7-18(32)14-24(21)44-3/h4-5,7-10,12,14,26H,6,11,13,15H2,1-3H3,(H,40,43)
InChIKeyUXPCIZNKNHKFEI-UHFFFAOYSA-N
MW694.91 g/mol
LogP9.07
Rot. Bonds13

About 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

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 (PubChem CID 58483438) has the molecular formula C31H27Cl3F5NO5 and a molecular weight of 694.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID58483438
Molecular FormulaC31H27Cl3F5NO5
Molecular Weight694.91 g/mol
Exact Mass693.09
IUPAC NameN-(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
SMILESCOc1cc(Cl)ccc1NC(=O)c1cc(CC(=O)c2c(Cl)ccc(CCC(=O)C(C)(C)C(F)(F)F)c2Cl)ccc1OCC(F)F
InChIInChI=1S/C31H27Cl3F5NO5/c1-30(2,31(37,38)39)25(42)11-6-17-5-8-20(33)27(28(17)34)22(41)13-16-4-10-23(45-15-26(35)36)19(12-16)29(43)40-21-9-7-18(32)14-24(21)44-3/h4-5,7-10,12,14,26H,6,11,13,15H2,1-3H3,(H,40,43)
InChIKeyUXPCIZNKNHKFEI-UHFFFAOYSA-N
XLogP9.07
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.91
LogP ≤ 59.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
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
N-(4-bromophenyl)-5-[2-[2-chloro-3-(4,4-dimethyl-3-oxopentyl)-6-fluorophenyl]-2-oxoethyl]-2-(2,2-difluoroethoxy)benzamide
CID 58483352
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
2-chloro-N-[3-[(6-chloro-1-benzothiophen-2-yl)carbamoyl]-4-(2,2-difluoroethoxy)phenyl]-5-[[(3,3,3-trifluoro-2,2-dimethylpropanoyl)amino]methyl]benzamide
CID 123385527
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
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-(oxan-3-ylmethylcarbamoyl)phenyl]-5-[[(3,3,3-trifluoro-2,2-dimethylpropanoyl)amino]methyl]benzamide
CID 88896909
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 114964656

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(Cl)ccc1NC(=O)c1cc(CC(=O)c2c(Cl)ccc(CCC(=O)C(C)(C)C(F)(F)F)c2Cl)ccc1OCC(F)F.
What is the InChIKey of 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?
The InChIKey is UXPCIZNKNHKFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27Cl3F5NO5/c1-30(2,31(37,38)39)25(42)11-6-17-5-8-20(33)27(28(17)34)22(41)13-16-4-10-23(45-15-26(35)36)19(12-16)29(43)40-21-9-7-18(32)14-24(21)44-3/h4-5,7-10,12,14,26H,6,11,13,15H2,1-3H3,(H,40,43).
What are the key properties of 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?
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 has a molecular weight of 694.91 g/mol, XLogP of 9.07, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58483438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).