3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide

C17H18F2N2O2 — CID 109039796

IUPAC3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCNc1c(F)cccc1F
InChIInChI=1S/C17H18F2N2O2/c1-2-23-15-9-4-3-8-14(15)21-16(22)10-11-20-17-12(18)6-5-7-13(17)19/h3-9,20H,2,10-11H2,1H3,(H,21,22)
InChIKeyDHXNSJQMQXAGIP-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.80
Rot. Bonds7

About 3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide

3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide (PubChem CID 109039796) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide
PubChem CID109039796
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCNc1c(F)cccc1F
InChIInChI=1S/C17H18F2N2O2/c1-2-23-15-9-4-3-8-14(15)21-16(22)10-11-20-17-12(18)6-5-7-13(17)19/h3-9,20H,2,10-11H2,1H3,(H,21,22)
InChIKeyDHXNSJQMQXAGIP-UHFFFAOYSA-N
XLogP3.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea
CID 108992038
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109035537
3-(2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039806
3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide
CID 109039756
N-(2-ethoxyphenyl)-2-(5-fluoro-2-methylanilino)acetamide
CID 2516932
4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
CID 119263924
3-(3-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039314
N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109039758
3-(2,6-diethylanilino)-N-(2-methoxyphenyl)propanamide
CID 109037115
N-(2-ethoxyphenyl)-3-(4-fluorophenoxy)propanamide
CID 31895143
3-(2,6-diethylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109037146

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide (CID 109039796) is 3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCNc1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide?
The InChIKey is DHXNSJQMQXAGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-2-23-15-9-4-3-8-14(15)21-16(22)10-11-20-17-12(18)6-5-7-13(17)19/h3-9,20H,2,10-11H2,1H3,(H,21,22).
What are the key properties of 3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide?
3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide has a molecular weight of 320.34 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 109039796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).