N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide

C20H22F2N2O3 — CID 25161505

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCCOc1ccccc1
InChIInChI=1S/C20H22F2N2O3/c1-2-24(14-18(25)23-20-16(21)10-6-11-17(20)22)19(26)12-7-13-27-15-8-4-3-5-9-15/h3-6,8-11H,2,7,12-14H2,1H3,(H,23,25)
InChIKeyBBJRPPTUOYXDCX-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.61
Rot. Bonds9

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide (PubChem CID 25161505) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide
PubChem CID25161505
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCCOc1ccccc1
InChIInChI=1S/C20H22F2N2O3/c1-2-24(14-18(25)23-20-16(21)10-6-11-17(20)22)19(26)12-7-13-27-15-8-4-3-5-9-15/h3-6,8-11H,2,7,12-14H2,1H3,(H,23,25)
InChIKeyBBJRPPTUOYXDCX-UHFFFAOYSA-N
XLogP3.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide
CID 119266607
methyl 2-[ethyl(4-phenoxybutanoyl)amino]acetate
CID 61383353
2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide
CID 26266273
N-(2,6-difluorophenyl)-2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 26266266
[2-(2,6-difluoroanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 7186275
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-phenoxybutanamide
CID 25163550
N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-(difluoromethoxy)benzamide
CID 30794603
N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 38370231
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide
CID 31713224
N-ethyl-4-phenoxy-N-prop-2-enylbutanamide
CID 84558793
2-[ethyl-[4-(3-methylphenoxy)butanoyl]amino]acetic acid
CID 61022486
3-[ethyl-[4-(4-fluorophenoxy)butanoyl]amino]propanoic acid
CID 61006801

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide (CID 25161505) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCCOc1ccccc1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide?
The InChIKey is BBJRPPTUOYXDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-2-24(14-18(25)23-20-16(21)10-6-11-17(20)22)19(26)12-7-13-27-15-8-4-3-5-9-15/h3-6,8-11H,2,7,12-14H2,1H3,(H,23,25).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide has a molecular weight of 376.40 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide is sourced from PubChem (CID 25161505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).