N-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide

C17H17ClFNO2 — CID 32990930

IUPACN-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H17ClFNO2/c1-2-22-16-6-4-3-5-12(16)7-10-17(21)20-15-9-8-13(19)11-14(15)18/h3-6,8-9,11H,2,7,10H2,1H3,(H,20,21)
InChIKeyDRKJHLSOEVIJPB-UHFFFAOYSA-N
MW321.78 g/mol
LogP4.45
Rot. Bonds6

About N-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide

N-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide (PubChem CID 32990930) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide
PubChem CID32990930
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC NameN-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H17ClFNO2/c1-2-22-16-6-4-3-5-12(16)7-10-17(21)20-15-9-8-13(19)11-14(15)18/h3-6,8-9,11H,2,7,10H2,1H3,(H,20,21)
InChIKeyDRKJHLSOEVIJPB-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide
CID 33002086
[2-(2,5-difluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524402
N-(3-acetamido-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide
CID 32943090
N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide
CID 17461303
3-(2-ethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
CID 31725859
N-(2-chloro-4-fluorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703627
ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate
CID 7694748
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384506
[2-(2,5-dichloroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731134
N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 52734652
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-ethoxyphenyl)propanamide
CID 32999398
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524394

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide (CID 32990930) is N-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide is CCOc1ccccc1CCC(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide?
The InChIKey is DRKJHLSOEVIJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-2-22-16-6-4-3-5-12(16)7-10-17(21)20-15-9-8-13(19)11-14(15)18/h3-6,8-9,11H,2,7,10H2,1H3,(H,20,21).
What are the key properties of N-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide?
N-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide has a molecular weight of 321.78 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 32990930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).