N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide

C18H18FNO3 — CID 7434033

IUPACN-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)COc2ccccc2F)cc1
InChIInChI=1S/C18H18FNO3/c1-2-5-18(22)20-14-10-8-13(9-11-14)16(21)12-23-17-7-4-3-6-15(17)19/h3-4,6-11H,2,5,12H2,1H3,(H,20,22)
InChIKeyLQBKRHDLCRLVFS-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.83
Rot. Bonds7

About N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide

N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide (PubChem CID 7434033) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide
PubChem CID7434033
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC NameN-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)COc2ccccc2F)cc1
InChIInChI=1S/C18H18FNO3/c1-2-5-18(22)20-14-10-8-13(9-11-14)16(21)12-23-17-7-4-3-6-15(17)19/h3-4,6-11H,2,5,12H2,1H3,(H,20,22)
InChIKeyLQBKRHDLCRLVFS-UHFFFAOYSA-N
XLogP3.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-methoxybenzoate
CID 7560736
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide
CID 60549875
N-[4-[2-(3-iodophenoxy)acetyl]phenyl]butanamide
CID 55357186
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386942
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140310
N-(4-ethoxy-3-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 110777396
diethyl-[2-[4-[[2-(2-fluorophenoxy)acetyl]amino]benzoyl]oxyethyl]azanium
CID 8961515
N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide
CID 26913928
N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
CID 9471970
4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
CID 87005359
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 35945529

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide?
The IUPAC name of N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide (CID 7434033) is N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide?
The canonical SMILES for N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide is CCCC(=O)Nc1ccc(C(=O)COc2ccccc2F)cc1.
What is the InChIKey of N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide?
The InChIKey is LQBKRHDLCRLVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-2-5-18(22)20-14-10-8-13(9-11-14)16(21)12-23-17-7-4-3-6-15(17)19/h3-4,6-11H,2,5,12H2,1H3,(H,20,22).
What are the key properties of N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide?
N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide has a molecular weight of 315.34 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-fluorophenoxy)acetyl]phenyl]butanamide is sourced from PubChem (CID 7434033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).