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

C17H17ClFNO2 — CID 4953359

IUPACN-(3-chloro-4-fluorophenyl)-2-(4-ethylphenoxy)propanamide
SMILESCCc1ccc(OC(C)C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H17ClFNO2/c1-3-12-4-7-14(8-5-12)22-11(2)17(21)20-13-6-9-16(19)15(18)10-13/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyNTYVEEVNNXIWMV-UHFFFAOYSA-N
MW321.78 g/mol
LogP4.45
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-2-(4-ethylphenoxy)propanamide (PubChem CID 4953359) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(4-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(4-ethylphenoxy)propanamide
PubChem CID4953359
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(4-ethylphenoxy)propanamide
SMILESCCc1ccc(OC(C)C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C17H17ClFNO2/c1-3-12-4-7-14(8-5-12)22-11(2)17(21)20-13-6-9-16(19)15(18)10-13/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyNTYVEEVNNXIWMV-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 24511691
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578068
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
(2R)-N-(2,4-dichlorophenyl)-2-(4-ethylphenoxy)propanamide
CID 9236171
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7751009
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3-chlorophenyl)propanamide
CID 7751006
(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide
CID 966199
(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 40721189
N-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 2968265
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300
2-(4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 21173814
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-ethylphenoxy)propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-ethylphenoxy)propanamide (CID 4953359) is N-(3-chloro-4-fluorophenyl)-2-(4-ethylphenoxy)propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(4-ethylphenoxy)propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(4-ethylphenoxy)propanamide is CCc1ccc(OC(C)C(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(4-ethylphenoxy)propanamide?
The InChIKey is NTYVEEVNNXIWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-3-12-4-7-14(8-5-12)22-11(2)17(21)20-13-6-9-16(19)15(18)10-13/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(4-ethylphenoxy)propanamide?
N-(3-chloro-4-fluorophenyl)-2-(4-ethylphenoxy)propanamide has a molecular weight of 321.78 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(4-ethylphenoxy)propanamide is sourced from PubChem (CID 4953359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).