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

C24H23Cl2F3N2O — CID 58200066

IUPACN-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]butanamide
SMILESCCCC(=O)NC1CCc2cc(C3=NCC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21
InChIInChI=1S/C24H23Cl2F3N2O/c1-2-3-22(32)31-20-7-5-14-8-15(4-6-19(14)20)21-12-23(13-30-21,24(27,28)29)16-9-17(25)11-18(26)10-16/h4,6,8-11,20H,2-3,5,7,12-13H2,1H3,(H,31,32)
InChIKeyWZXRZJSMXRDVTD-UHFFFAOYSA-N
MW483.36 g/mol
LogP6.59
Rot. Bonds5

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

N-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]butanamide (PubChem CID 58200066) has the molecular formula C24H23Cl2F3N2O and a molecular weight of 483.36 g/mol. Its IUPAC name is N-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]butanamide.

Molecular Properties

Compound NameN-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]butanamide
PubChem CID58200066
Molecular FormulaC24H23Cl2F3N2O
Molecular Weight483.36 g/mol
Exact Mass482.11
IUPAC NameN-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]butanamide
SMILESCCCC(=O)NC1CCc2cc(C3=NCC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21
InChIInChI=1S/C24H23Cl2F3N2O/c1-2-3-22(32)31-20-7-5-14-8-15(4-6-19(14)20)21-12-23(13-30-21,24(27,28)29)16-9-17(25)11-18(26)10-16/h4,6,8-11,20H,2-3,5,7,12-13H2,1H3,(H,31,32)
InChIKeyWZXRZJSMXRDVTD-UHFFFAOYSA-N
XLogP6.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.36
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]butanamide?
The IUPAC name of N-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]butanamide (CID 58200066) is N-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]butanamide.
What is the SMILES notation for N-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]butanamide?
The canonical SMILES for N-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]butanamide is CCCC(=O)NC1CCc2cc(C3=NCC(c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)ccc21.
What is the InChIKey of N-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]butanamide?
The InChIKey is WZXRZJSMXRDVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2F3N2O/c1-2-3-22(32)31-20-7-5-14-8-15(4-6-19(14)20)21-12-23(13-30-21,24(27,28)29)16-9-17(25)11-18(26)10-16/h4,6,8-11,20H,2-3,5,7,12-13H2,1H3,(H,31,32).
What are the key properties of N-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]butanamide?
N-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]butanamide has a molecular weight of 483.36 g/mol, XLogP of 6.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]butanamide is sourced from PubChem (CID 58200066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).