2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

C25H24Cl2FNO4S — CID 155781653

IUPAC2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(C)c1cc(F)cc(Oc2c(Cl)ccc(C(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)c2Cl)c1
InChIInChI=1S/C25H24Cl2FNO4S/c1-14(2)17-11-18(28)13-19(12-17)33-24-22(26)10-9-21(23(24)27)25(30)29-15(3)16-5-7-20(8-6-16)34(4,31)32/h5-15H,1-4H3,(H,29,30)
InChIKeyGXRIMPUDNZGWQV-UHFFFAOYSA-N
MW524.44 g/mol
LogP6.94
Rot. Bonds7

About 2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 155781653) has the molecular formula C25H24Cl2FNO4S and a molecular weight of 524.44 g/mol. Its IUPAC name is 2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID155781653
Molecular FormulaC25H24Cl2FNO4S
Molecular Weight524.44 g/mol
Exact Mass523.08
IUPAC Name2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(C)c1cc(F)cc(Oc2c(Cl)ccc(C(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)c2Cl)c1
InChIInChI=1S/C25H24Cl2FNO4S/c1-14(2)17-11-18(28)13-19(12-17)33-24-22(26)10-9-21(23(24)27)25(30)29-15(3)16-5-7-20(8-6-16)34(4,31)32/h5-15H,1-4H3,(H,29,30)
InChIKeyGXRIMPUDNZGWQV-UHFFFAOYSA-N
XLogP6.94
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.44
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-3-[3-fluoro-5-(1,1,1-trifluoropropan-2-yl)phenoxy]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 165166272
2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 51247083
5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55607362
2-(3-fluorophenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 47013000
4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide
CID 133165871
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 47097751
1-(4-fluorophenyl)-2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrole-3-carboxamide
CID 55440522
2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 46579861
2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 78811687
3,4,5,6-tetrachloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 26468278
5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 27759607
N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide
CID 18096179

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 155781653) is 2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is CC(C)c1cc(F)cc(Oc2c(Cl)ccc(C(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)c2Cl)c1.
What is the InChIKey of 2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is GXRIMPUDNZGWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2FNO4S/c1-14(2)17-11-18(28)13-19(12-17)33-24-22(26)10-9-21(23(24)27)25(30)29-15(3)16-5-7-20(8-6-16)34(4,31)32/h5-15H,1-4H3,(H,29,30).
What are the key properties of 2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 524.44 g/mol, XLogP of 6.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(3-fluoro-5-propan-2-ylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 155781653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).