N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide

C16H12ClFN2O2 — CID 16548334

IUPACN-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C16H12ClFN2O2/c1-10(22-13-5-2-11(9-19)3-6-13)16(21)20-15-8-12(17)4-7-14(15)18/h2-8,10H,1H3,(H,20,21)
InChIKeyOWTDXDPUJJNANZ-UHFFFAOYSA-N
MW318.74 g/mol
LogP3.76
Rot. Bonds4

About N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide

N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide (PubChem CID 16548334) has the molecular formula C16H12ClFN2O2 and a molecular weight of 318.74 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide
PubChem CID16548334
Molecular FormulaC16H12ClFN2O2
Molecular Weight318.74 g/mol
Exact Mass318.06
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C16H12ClFN2O2/c1-10(22-13-5-2-11(9-19)3-6-13)16(21)20-15-8-12(17)4-7-14(15)18/h2-8,10H,1H3,(H,20,21)
InChIKeyOWTDXDPUJJNANZ-UHFFFAOYSA-N
XLogP3.76
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-cyanophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 7503342
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983734
2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51158907
(2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide
CID 7670178
N-(5-chloro-2-pyridinyl)-2-(4-cyanophenoxy)propanamide
CID 51140376
2-(4-cyanophenoxy)-N-(2-hydroxyphenyl)propanamide
CID 46665197
(2S)-N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenoxy)propanamide
CID 7961263
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8855742
[(2R)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8855648
(2R)-N-(4-chloro-2-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 26529991
(2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 7831539
(4-cyanophenyl) (2R)-2-(4-chlorophenoxy)propanoate
CID 7913075

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide (CID 16548334) is N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide is CC(Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide?
The InChIKey is OWTDXDPUJJNANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2/c1-10(22-13-5-2-11(9-19)3-6-13)16(21)20-15-8-12(17)4-7-14(15)18/h2-8,10H,1H3,(H,20,21).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide?
N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide has a molecular weight of 318.74 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide is sourced from PubChem (CID 16548334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).