N-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide

C17H18FNO2 — CID 22660942

IUPACN-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide
SMILESCC(=O)N(CCOc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c1-14(20)19(13-15-7-9-16(18)10-8-15)11-12-21-17-5-3-2-4-6-17/h2-10H,11-13H2,1H3
InChIKeyZSNMSXQPSBWQHS-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.25
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide

N-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide (PubChem CID 22660942) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide
PubChem CID22660942
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide
SMILESCC(=O)N(CCOc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c1-14(20)19(13-15-7-9-16(18)10-8-15)11-12-21-17-5-3-2-4-6-17/h2-10H,11-13H2,1H3
InChIKeyZSNMSXQPSBWQHS-UHFFFAOYSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 22660909
N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 78770382
methyl 4-[2-(4-fluorophenoxy)ethyl-[(4-fluorophenyl)methyl]amino]-2,4-dioxobutanoate
CID 91175388
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N-benzyl-2-(4-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 78781458
phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate
CID 60676113
3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
CID 113118291
N-(3-amino-3-sulfanylidenepropyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 82103974
N-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 9289798
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide
CID 113055446
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 113119354
1-[(4-fluorophenyl)methyl]-3-methyl-1-[2-(4-nitrophenoxy)ethyl]urea
CID 67809437

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide (CID 22660942) is N-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide is CC(=O)N(CCOc1ccccc1)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide?
The InChIKey is ZSNMSXQPSBWQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-14(20)19(13-15-7-9-16(18)10-8-15)11-12-21-17-5-3-2-4-6-17/h2-10H,11-13H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide?
N-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide has a molecular weight of 287.33 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 22660942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).