N-[5-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide

C24H22Cl2F3NOS — CID 118498542

IUPACN-[5-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCc2cc(C3=CSC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21
InChIInChI=1S/C24H22Cl2F3NOS/c1-13(2)22(31)30-21-6-4-15-7-14(3-5-20(15)21)16-11-23(32-12-16,24(27,28)29)17-8-18(25)10-19(26)9-17/h3,5,7-10,12-13,21H,4,6,11H2,1-2H3,(H,30,31)
InChIKeyGUHAEQRKLAIISB-UHFFFAOYSA-N
MW500.41 g/mol
LogP7.69
Rot. Bonds4

About N-[5-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide

N-[5-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide (PubChem CID 118498542) has the molecular formula C24H22Cl2F3NOS and a molecular weight of 500.41 g/mol. Its IUPAC name is N-[5-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide
PubChem CID118498542
Molecular FormulaC24H22Cl2F3NOS
Molecular Weight500.41 g/mol
Exact Mass499.08
IUPAC NameN-[5-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCc2cc(C3=CSC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21
InChIInChI=1S/C24H22Cl2F3NOS/c1-13(2)22(31)30-21-6-4-15-7-14(3-5-20(15)21)16-11-23(32-12-16,24(27,28)29)17-8-18(25)10-19(26)9-17/h3,5,7-10,12-13,21H,4,6,11H2,1-2H3,(H,30,31)
InChIKeyGUHAEQRKLAIISB-UHFFFAOYSA-N
XLogP7.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.41
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-chloro-4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]-3-methylsulfanylpropanamide
CID 134221924
3,3-difluoro-N-[5-[(E)-3-(3,4,5-trichlorophenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide
CID 134222164
N-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]butanamide
CID 58200066
N-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylbutanamide
CID 58200110
N-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide
CID 58200163
2-methylsulfanyl-N-[5-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide
CID 87091656
(E)-3,3,3-Trifluoro-N-(5-(4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-1-enyl)-2,3-dihydro-1H-inden-1-yl)propanamide
CID 89306424
N-[5-[(E)-3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluorobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3,3,3-trifluoropropanamide
CID 89308711
N-[5-[(E)-3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluorobut-1-enyl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]-3,3,3-trifluoropropanamide
CID 89308715
N-[5-[(E)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]cyclopropanecarboxamide
CID 89308725
4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]-2-methyl-N-(thietan-3-yl)benzamide
CID 89309696
N-[5-[(E)-3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluorobut-1-enyl]-2-fluoro-2,3-dihydro-1H-inden-1-yl]formamide
CID 89309780

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide?
The IUPAC name of N-[5-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide (CID 118498542) is N-[5-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCc2cc(C3=CSC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21.
What is the InChIKey of N-[5-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide?
The InChIKey is GUHAEQRKLAIISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2F3NOS/c1-13(2)22(31)30-21-6-4-15-7-14(3-5-20(15)21)16-11-23(32-12-16,24(27,28)29)17-8-18(25)10-19(26)9-17/h3,5,7-10,12-13,21H,4,6,11H2,1-2H3,(H,30,31).
What are the key properties of N-[5-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide?
N-[5-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide has a molecular weight of 500.41 g/mol, XLogP of 7.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpropanamide is sourced from PubChem (CID 118498542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).