N-[4-[2-(4-cyano-3-fluorophenoxy)acetyl]phenyl]propanamide

C18H15FN2O3 — CID 122134917

IUPACN-[4-[2-(4-cyano-3-fluorophenoxy)acetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)COc2ccc(C#N)c(F)c2)cc1
InChIInChI=1S/C18H15FN2O3/c1-2-18(23)21-14-6-3-12(4-7-14)17(22)11-24-15-8-5-13(10-20)16(19)9-15/h3-9H,2,11H2,1H3,(H,21,23)
InChIKeyUGFMNWLYKYHEOW-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.31
Rot. Bonds6

About N-[4-[2-(4-cyano-3-fluorophenoxy)acetyl]phenyl]propanamide

N-[4-[2-(4-cyano-3-fluorophenoxy)acetyl]phenyl]propanamide (PubChem CID 122134917) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-[4-[2-(4-cyano-3-fluorophenoxy)acetyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(4-cyano-3-fluorophenoxy)acetyl]phenyl]propanamide
PubChem CID122134917
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC NameN-[4-[2-(4-cyano-3-fluorophenoxy)acetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)COc2ccc(C#N)c(F)c2)cc1
InChIInChI=1S/C18H15FN2O3/c1-2-18(23)21-14-6-3-12(4-7-14)17(22)11-24-15-8-5-13(10-20)16(19)9-15/h3-9H,2,11H2,1H3,(H,21,23)
InChIKeyUGFMNWLYKYHEOW-UHFFFAOYSA-N
XLogP3.31
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-3-fluorophenyl)propanamide
CID 130705875
N-[4-[2-(4-methylphenoxy)acetyl]phenyl]propanamide
CID 4798056
4-[2-(3-chlorophenyl)-2-oxoethoxy]-2-fluorobenzonitrile
CID 78952755
4-[2-(3,4-difluorophenoxy)acetyl]benzonitrile
CID 43612525
N-[4-[2-(4-cyanophenoxy)acetyl]phenyl]-3-methylbutanamide
CID 7818621
2-(4-cyano-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78952816
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 9395370
N-(2-chlorophenyl)-2-(4-cyano-3-fluorophenoxy)acetamide
CID 78952552
N-[4-[2-(5-fluoro-2-nitrophenoxy)acetyl]phenyl]propanamide
CID 7438373
4-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]-2-fluorobenzonitrile
CID 78952740
2-chloro-4-[2-(4-methoxyphenyl)-2-oxoethoxy]benzonitrile
CID 102674505

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-cyano-3-fluorophenoxy)acetyl]phenyl]propanamide?
The IUPAC name of N-[4-[2-(4-cyano-3-fluorophenoxy)acetyl]phenyl]propanamide (CID 122134917) is N-[4-[2-(4-cyano-3-fluorophenoxy)acetyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-(4-cyano-3-fluorophenoxy)acetyl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-(4-cyano-3-fluorophenoxy)acetyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)COc2ccc(C#N)c(F)c2)cc1.
What is the InChIKey of N-[4-[2-(4-cyano-3-fluorophenoxy)acetyl]phenyl]propanamide?
The InChIKey is UGFMNWLYKYHEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-2-18(23)21-14-6-3-12(4-7-14)17(22)11-24-15-8-5-13(10-20)16(19)9-15/h3-9H,2,11H2,1H3,(H,21,23).
What are the key properties of N-[4-[2-(4-cyano-3-fluorophenoxy)acetyl]phenyl]propanamide?
N-[4-[2-(4-cyano-3-fluorophenoxy)acetyl]phenyl]propanamide has a molecular weight of 326.33 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-cyano-3-fluorophenoxy)acetyl]phenyl]propanamide is sourced from PubChem (CID 122134917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).