(2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide

C17H16F2N2O3 — CID 8578127

IUPAC(2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(F)c(F)c1)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H16F2N2O3/c1-11(24-13-7-8-14(18)15(19)9-13)16(22)21-17(23)20-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H2,20,21,22,23)/t11-/m1/s1
InChIKeyZASAHSYFLNUMSB-LLVKDONJSA-N
MW334.32 g/mol
LogP2.76
Rot. Bonds5

About (2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide

(2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide (PubChem CID 8578127) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is (2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide
PubChem CID8578127
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name(2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(F)c(F)c1)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C17H16F2N2O3/c1-11(24-13-7-8-14(18)15(19)9-13)16(22)21-17(23)20-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H2,20,21,22,23)/t11-/m1/s1
InChIKeyZASAHSYFLNUMSB-LLVKDONJSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 8949497
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 55423610
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate
CID 55417062
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 8625557
2-(3,4-difluorophenoxy)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 51097366
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 8958349
2-(3,4-difluorophenoxy)-N-phenylpropanamide
CID 42982598
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 8958752
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8856985
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 8575873
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(trifluoromethoxy)benzoate
CID 8958469
N-[2-(benzylamino)-2-oxoethyl]-2-(3,4-difluorophenoxy)-2-phenylacetamide
CID 86897436

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide?
The IUPAC name of (2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide (CID 8578127) is (2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide?
The canonical SMILES for (2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide is C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of (2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide?
The InChIKey is ZASAHSYFLNUMSB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-11(24-13-7-8-14(18)15(19)9-13)16(22)21-17(23)20-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H2,20,21,22,23)/t11-/m1/s1.
What are the key properties of (2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide?
(2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide has a molecular weight of 334.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide is sourced from PubChem (CID 8578127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).