N-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide

C20H20F2N2O — CID 71830169

IUPACN-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide
SMILESCCn1ccc2cc(CCC(=O)NCc3cc(F)ccc3F)ccc21
InChIInChI=1S/C20H20F2N2O/c1-2-24-10-9-15-11-14(3-7-19(15)24)4-8-20(25)23-13-16-12-17(21)5-6-18(16)22/h3,5-7,9-12H,2,4,8,13H2,1H3,(H,23,25)
InChIKeyNJTZZLHVSPVHQA-UHFFFAOYSA-N
MW342.39 g/mol
LogP4.19
Rot. Bonds6

About N-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide

N-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide (PubChem CID 71830169) has the molecular formula C20H20F2N2O and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide
PubChem CID71830169
Molecular FormulaC20H20F2N2O
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC NameN-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide
SMILESCCn1ccc2cc(CCC(=O)NCc3cc(F)ccc3F)ccc21
InChIInChI=1S/C20H20F2N2O/c1-2-24-10-9-15-11-14(3-7-19(15)24)4-8-20(25)23-13-16-12-17(21)5-6-18(16)22/h3,5-7,9-12H,2,4,8,13H2,1H3,(H,23,25)
InChIKeyNJTZZLHVSPVHQA-UHFFFAOYSA-N
XLogP4.19
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-5-yl)propanamide
CID 71840842
3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 71840847
N-[(2,5-difluorophenyl)methyl]-3-(1H-indol-6-yl)propanamide
CID 71840774
[1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol
CID 102912443
3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 71819831
N-[(2,5-difluorophenyl)methyl]-3,3-dimethylbutanamide
CID 110780967
N-[(2,5-difluorophenyl)methyl]-3-oxobutanamide
CID 63795355
2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide
CID 63793376
3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 46485685
methyl 3-[(2,5-difluorophenyl)methylamino]-3-oxopropanoate
CID 115174318
3-(1-ethylindol-5-yl)-1-morpholin-4-ylpropan-1-one
CID 71840841
3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide (CID 71830169) is N-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide is CCn1ccc2cc(CCC(=O)NCc3cc(F)ccc3F)ccc21.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide?
The InChIKey is NJTZZLHVSPVHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O/c1-2-24-10-9-15-11-14(3-7-19(15)24)4-8-20(25)23-13-16-12-17(21)5-6-18(16)22/h3,5-7,9-12H,2,4,8,13H2,1H3,(H,23,25).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide?
N-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide has a molecular weight of 342.39 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-3-(1-ethylindol-5-yl)propanamide is sourced from PubChem (CID 71830169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).