N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide

C17H18FN3O3 — CID 52595243

IUPACN-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FN3O3/c1-12(22)20-14-4-6-15(7-5-14)21-17(23)19-10-11-24-16-8-2-13(18)3-9-16/h2-9H,10-11H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyGBQKJDVAEGTCTI-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.98
Rot. Bonds6

About N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide

N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide (PubChem CID 52595243) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
PubChem CID52595243
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FN3O3/c1-12(22)20-14-4-6-15(7-5-14)21-17(23)19-10-11-24-16-8-2-13(18)3-9-16/h2-9H,10-11H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyGBQKJDVAEGTCTI-UHFFFAOYSA-N
XLogP2.98
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 72924084
1-[3-(4-fluorophenoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 86870027
2-(4-acetamidophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide
CID 42572371
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
1-(4-fluorophenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974631
1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
CID 51046163
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-[2-(2-aminophenoxy)ethyl]-3-(4-fluorophenyl)urea
CID 61031635
1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975869

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide (CID 52595243) is N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)NCCOc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide?
The InChIKey is GBQKJDVAEGTCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-12(22)20-14-4-6-15(7-5-14)21-17(23)19-10-11-24-16-8-2-13(18)3-9-16/h2-9H,10-11H2,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide?
N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide has a molecular weight of 331.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 52595243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).