N-[3-[2-(3,5-dichlorophenyl)-2-(1,1-difluoroethyl)-1-oxo-3H-inden-5-yl]phenyl]propanamide

C26H21Cl2F2NO2 — CID 123165452

IUPACN-[3-[2-(3,5-dichlorophenyl)-2-(1,1-difluoroethyl)-1-oxo-3H-inden-5-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2ccc3c(c2)CC(c2cc(Cl)cc(Cl)c2)(C(C)(F)F)C3=O)c1
InChIInChI=1S/C26H21Cl2F2NO2/c1-3-23(32)31-21-6-4-5-15(10-21)16-7-8-22-17(9-16)14-26(24(22)33,25(2,29)30)18-11-19(27)13-20(28)12-18/h4-13H,3,14H2,1-2H3,(H,31,32)
InChIKeyMMWDGYUIFHGJIA-UHFFFAOYSA-N
MW488.36 g/mol
LogP7.34
Rot. Bonds5

About N-[3-[2-(3,5-dichlorophenyl)-2-(1,1-difluoroethyl)-1-oxo-3H-inden-5-yl]phenyl]propanamide

N-[3-[2-(3,5-dichlorophenyl)-2-(1,1-difluoroethyl)-1-oxo-3H-inden-5-yl]phenyl]propanamide (PubChem CID 123165452) has the molecular formula C26H21Cl2F2NO2 and a molecular weight of 488.36 g/mol. Its IUPAC name is N-[3-[2-(3,5-dichlorophenyl)-2-(1,1-difluoroethyl)-1-oxo-3H-inden-5-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-(3,5-dichlorophenyl)-2-(1,1-difluoroethyl)-1-oxo-3H-inden-5-yl]phenyl]propanamide
PubChem CID123165452
Molecular FormulaC26H21Cl2F2NO2
Molecular Weight488.36 g/mol
Exact Mass487.09
IUPAC NameN-[3-[2-(3,5-dichlorophenyl)-2-(1,1-difluoroethyl)-1-oxo-3H-inden-5-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2ccc3c(c2)CC(c2cc(Cl)cc(Cl)c2)(C(C)(F)F)C3=O)c1
InChIInChI=1S/C26H21Cl2F2NO2/c1-3-23(32)31-21-6-4-5-15(10-21)16-7-8-22-17(9-16)14-26(24(22)33,25(2,29)30)18-11-19(27)13-20(28)12-18/h4-13H,3,14H2,1-2H3,(H,31,32)
InChIKeyMMWDGYUIFHGJIA-UHFFFAOYSA-N
XLogP7.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.36
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl 2-[1-oxo-6-[4-(phenylcarbamoylamino)phenyl]-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate
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ethyl 2-[2-ethyl-1-oxo-6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-3,4-dihydronaphthalen-2-yl]acetate
CID 71063109
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CID 54835550
ethyl 2-[2-methoxy-1-oxo-6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-3,4-dihydronaphthalen-2-yl]acetate
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3-oxo-N-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]butanamide
CID 166845030
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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,5-dichlorophenyl)-2-(1,1-difluoroethyl)-1-oxo-3H-inden-5-yl]phenyl]propanamide?
The IUPAC name of N-[3-[2-(3,5-dichlorophenyl)-2-(1,1-difluoroethyl)-1-oxo-3H-inden-5-yl]phenyl]propanamide (CID 123165452) is N-[3-[2-(3,5-dichlorophenyl)-2-(1,1-difluoroethyl)-1-oxo-3H-inden-5-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[2-(3,5-dichlorophenyl)-2-(1,1-difluoroethyl)-1-oxo-3H-inden-5-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[2-(3,5-dichlorophenyl)-2-(1,1-difluoroethyl)-1-oxo-3H-inden-5-yl]phenyl]propanamide is CCC(=O)Nc1cccc(-c2ccc3c(c2)CC(c2cc(Cl)cc(Cl)c2)(C(C)(F)F)C3=O)c1.
What is the InChIKey of N-[3-[2-(3,5-dichlorophenyl)-2-(1,1-difluoroethyl)-1-oxo-3H-inden-5-yl]phenyl]propanamide?
The InChIKey is MMWDGYUIFHGJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2F2NO2/c1-3-23(32)31-21-6-4-5-15(10-21)16-7-8-22-17(9-16)14-26(24(22)33,25(2,29)30)18-11-19(27)13-20(28)12-18/h4-13H,3,14H2,1-2H3,(H,31,32).
What are the key properties of N-[3-[2-(3,5-dichlorophenyl)-2-(1,1-difluoroethyl)-1-oxo-3H-inden-5-yl]phenyl]propanamide?
N-[3-[2-(3,5-dichlorophenyl)-2-(1,1-difluoroethyl)-1-oxo-3H-inden-5-yl]phenyl]propanamide has a molecular weight of 488.36 g/mol, XLogP of 7.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,5-dichlorophenyl)-2-(1,1-difluoroethyl)-1-oxo-3H-inden-5-yl]phenyl]propanamide is sourced from PubChem (CID 123165452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).