N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-3-(4-ethoxyphenyl)propanamide

C22H25F2NO2 — CID 112534919

IUPACN-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)NCC2(c3ccc(F)cc3F)CC2C)cc1
InChIInChI=1S/C22H25F2NO2/c1-3-27-18-8-4-16(5-9-18)6-11-21(26)25-14-22(13-15(22)2)19-10-7-17(23)12-20(19)24/h4-5,7-10,12,15H,3,6,11,13-14H2,1-2H3,(H,25,26)
InChIKeyDTDUQSACGLAAAW-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.39
Rot. Bonds8

About N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-3-(4-ethoxyphenyl)propanamide

N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-3-(4-ethoxyphenyl)propanamide (PubChem CID 112534919) has the molecular formula C22H25F2NO2 and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-3-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-3-(4-ethoxyphenyl)propanamide
PubChem CID112534919
Molecular FormulaC22H25F2NO2
Molecular Weight373.44 g/mol
Exact Mass373.19
IUPAC NameN-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-3-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)NCC2(c3ccc(F)cc3F)CC2C)cc1
InChIInChI=1S/C22H25F2NO2/c1-3-27-18-8-4-16(5-9-18)6-11-21(26)25-14-22(13-15(22)2)19-10-7-17(23)12-20(19)24/h4-5,7-10,12,15H,3,6,11,13-14H2,1-2H3,(H,25,26)
InChIKeyDTDUQSACGLAAAW-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-4-ethoxybenzamide
CID 110477011
N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-2-pyridin-2-ylacetamide
CID 112534892
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide
CID 108573126
N-[2-(4-ethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 174483925
3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide
CID 60573347
N-(2-aminopropyl)-3-(4-ethoxyphenyl)propanamide
CID 110833167
3-(4-ethoxyphenyl)-N'-methylpropanehydrazide
CID 116846343
N-(4-bromo-2-fluorophenyl)-3-(4-ethoxyphenyl)propanamide
CID 53267566
N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide
CID 18279791
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 29415155
N-[2-(4-ethoxyphenyl)ethyl]-3-sulfanylpropanamide
CID 115168009
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-3-(4-ethoxyphenyl)propanamide?
The IUPAC name of N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-3-(4-ethoxyphenyl)propanamide (CID 112534919) is N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-3-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-3-(4-ethoxyphenyl)propanamide?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-3-(4-ethoxyphenyl)propanamide is CCOc1ccc(CCC(=O)NCC2(c3ccc(F)cc3F)CC2C)cc1.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-3-(4-ethoxyphenyl)propanamide?
The InChIKey is DTDUQSACGLAAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2NO2/c1-3-27-18-8-4-16(5-9-18)6-11-21(26)25-14-22(13-15(22)2)19-10-7-17(23)12-20(19)24/h4-5,7-10,12,15H,3,6,11,13-14H2,1-2H3,(H,25,26).
What are the key properties of N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-3-(4-ethoxyphenyl)propanamide?
N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-3-(4-ethoxyphenyl)propanamide has a molecular weight of 373.44 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-3-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 112534919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).