N-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide

C20H23FN2O4 — CID 55552164

IUPACN-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1cc(NC(C)=O)ccc1F
InChIInChI=1S/C20H23FN2O4/c1-3-26-18-7-4-5-8-19(18)27-12-6-9-20(25)23-17-13-15(22-14(2)24)10-11-16(17)21/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyDQZLPEJIYUXDGX-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.98
Rot. Bonds9

About N-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide

N-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide (PubChem CID 55552164) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide
PubChem CID55552164
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC NameN-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1cc(NC(C)=O)ccc1F
InChIInChI=1S/C20H23FN2O4/c1-3-26-18-7-4-5-8-19(18)27-12-6-9-20(25)23-17-13-15(22-14(2)24)10-11-16(17)21/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyDQZLPEJIYUXDGX-UHFFFAOYSA-N
XLogP3.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide
CID 32943090
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495
4-(2-ethoxyphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 7928453
N-(5-acetamido-2-ethylphenyl)-4-(2-nitrophenoxy)butanamide
CID 84549843
N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide
CID 63309475
N-(2,3-dichlorophenyl)-4-(2-ethoxyphenoxy)butanamide
CID 26364358
4-(2-ethoxyphenoxy)-N-(3-iodophenyl)butanamide
CID 18229012
4-[4-(2-ethoxyphenoxy)butanoylamino]-2-methylbenzoic acid
CID 119240265
N-(4-acetamido-3-chlorophenyl)-3-(2-ethoxyphenoxy)propanamide
CID 25470676
5-[4-(2-ethoxyphenoxy)butanoylamino]-2-methylbenzoic acid
CID 119255160
N-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide
CID 17425680

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide (CID 55552164) is N-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide is CCOc1ccccc1OCCCC(=O)Nc1cc(NC(C)=O)ccc1F.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide?
The InChIKey is DQZLPEJIYUXDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-3-26-18-7-4-5-8-19(18)27-12-6-9-20(25)23-17-13-15(22-14(2)24)10-11-16(17)21/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide?
N-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide has a molecular weight of 374.41 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide is sourced from PubChem (CID 55552164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).