3-(2-chloro-4-fluorophenoxy)-N-[2-(N-methylanilino)ethyl]propanamide

C18H20ClFN2O2 — CID 55772708

IUPAC3-(2-chloro-4-fluorophenoxy)-N-[2-(N-methylanilino)ethyl]propanamide
SMILESCN(CCNC(=O)CCOc1ccc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C18H20ClFN2O2/c1-22(15-5-3-2-4-6-15)11-10-21-18(23)9-12-24-17-8-7-14(20)13-16(17)19/h2-8,13H,9-12H2,1H3,(H,21,23)
InChIKeyKMJKKKFPQWFESI-UHFFFAOYSA-N
MW350.82 g/mol
LogP3.50
Rot. Bonds8

About 3-(2-chloro-4-fluorophenoxy)-N-[2-(N-methylanilino)ethyl]propanamide

3-(2-chloro-4-fluorophenoxy)-N-[2-(N-methylanilino)ethyl]propanamide (PubChem CID 55772708) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenoxy)-N-[2-(N-methylanilino)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenoxy)-N-[2-(N-methylanilino)ethyl]propanamide
PubChem CID55772708
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC Name3-(2-chloro-4-fluorophenoxy)-N-[2-(N-methylanilino)ethyl]propanamide
SMILESCN(CCNC(=O)CCOc1ccc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C18H20ClFN2O2/c1-22(15-5-3-2-4-6-15)11-10-21-18(23)9-12-24-17-8-7-14(20)13-16(17)19/h2-8,13H,9-12H2,1H3,(H,21,23)
InChIKeyKMJKKKFPQWFESI-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395334
N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
CID 113102910
3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide
CID 108789454
3-(2-chloro-4-fluorophenoxy)propanoic acid
CID 16778332
methyl N-[2-(2-chloro-4-fluorophenoxy)ethyl]carbamate
CID 113102971
N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119383062
2-(2-chlorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 94476681
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide
CID 113062638
N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide
CID 109016239
1-(2-chloro-4-fluorophenyl)-3-[3-(N-methylanilino)propyl]urea
CID 52543085
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-(4-chlorophenyl)acetamide
CID 113102946

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-[2-(N-methylanilino)ethyl]propanamide?
The IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-[2-(N-methylanilino)ethyl]propanamide (CID 55772708) is 3-(2-chloro-4-fluorophenoxy)-N-[2-(N-methylanilino)ethyl]propanamide.
What is the SMILES notation for 3-(2-chloro-4-fluorophenoxy)-N-[2-(N-methylanilino)ethyl]propanamide?
The canonical SMILES for 3-(2-chloro-4-fluorophenoxy)-N-[2-(N-methylanilino)ethyl]propanamide is CN(CCNC(=O)CCOc1ccc(F)cc1Cl)c1ccccc1.
What is the InChIKey of 3-(2-chloro-4-fluorophenoxy)-N-[2-(N-methylanilino)ethyl]propanamide?
The InChIKey is KMJKKKFPQWFESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2/c1-22(15-5-3-2-4-6-15)11-10-21-18(23)9-12-24-17-8-7-14(20)13-16(17)19/h2-8,13H,9-12H2,1H3,(H,21,23).
What are the key properties of 3-(2-chloro-4-fluorophenoxy)-N-[2-(N-methylanilino)ethyl]propanamide?
3-(2-chloro-4-fluorophenoxy)-N-[2-(N-methylanilino)ethyl]propanamide has a molecular weight of 350.82 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenoxy)-N-[2-(N-methylanilino)ethyl]propanamide is sourced from PubChem (CID 55772708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).