(2S)-2-[[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]propanamide

C11H9F5N2O3 — CID 141000624

IUPAC(2S)-2-[[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]propanamide
SMILESC[C@H](NC(=O)COc1c(F)c(F)c(F)c(F)c1F)C(N)=O
InChIInChI=1S/C11H9F5N2O3/c1-3(11(17)20)18-4(19)2-21-10-8(15)6(13)5(12)7(14)9(10)16/h3H,2H2,1H3,(H2,17,20)(H,18,19)/t3-/m0/s1
InChIKeyWDBDQUSHOSHIPN-VKHMYHEASA-N
MW312.19 g/mol
LogP0.75
Rot. Bonds5

About (2S)-2-[[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]propanamide

(2S)-2-[[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]propanamide (PubChem CID 141000624) has the molecular formula C11H9F5N2O3 and a molecular weight of 312.19 g/mol. Its IUPAC name is (2S)-2-[[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]propanamide
PubChem CID141000624
Molecular FormulaC11H9F5N2O3
Molecular Weight312.19 g/mol
Exact Mass312.05
IUPAC Name(2S)-2-[[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]propanamide
SMILESC[C@H](NC(=O)COc1c(F)c(F)c(F)c(F)c1F)C(N)=O
InChIInChI=1S/C11H9F5N2O3/c1-3(11(17)20)18-4(19)2-21-10-8(15)6(13)5(12)7(14)9(10)16/h3H,2H2,1H3,(H2,17,20)(H,18,19)/t3-/m0/s1
InChIKeyWDBDQUSHOSHIPN-VKHMYHEASA-N
XLogP0.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(propan-2-ylcarbamoyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2544256
2-phenoxy-N-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide
CID 10061939
N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]amino]acetamide
CID 89717827
2-phenoxy-N-[(2S)-4,4,4-trifluoro-3-oxobutan-2-yl]acetamide
CID 9903658
2-(4-fluorophenoxy)-N-(2-methoxyethyl)acetamide
CID 50946647
N-isopropyl-2-[(1-methyl-2-phenoxyethyl)amino]acetamide
CID 50959279
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(3,4-difluorophenoxy)propanamide
CID 56821125
N-Carbamoylmethyl-2-phenoxy-acetamide
CID 736926
2-phenoxy-N-[(2R)-4,4,4-trifluoro-3-oxobutan-2-yl]acetamide
CID 10107436
3-(S)-(phenoxyacetamido)azetidinone
CID 22825976
N-[2-(diethylamino)ethyl]-2-(4-fluorophenoxy)acetamide
CID 1816871
2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
CID 2094904

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]propanamide?
The IUPAC name of (2S)-2-[[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]propanamide (CID 141000624) is (2S)-2-[[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]propanamide.
What is the SMILES notation for (2S)-2-[[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]propanamide?
The canonical SMILES for (2S)-2-[[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]propanamide is C[C@H](NC(=O)COc1c(F)c(F)c(F)c(F)c1F)C(N)=O.
What is the InChIKey of (2S)-2-[[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]propanamide?
The InChIKey is WDBDQUSHOSHIPN-VKHMYHEASA-N. The full InChI is InChI=1S/C11H9F5N2O3/c1-3(11(17)20)18-4(19)2-21-10-8(15)6(13)5(12)7(14)9(10)16/h3H,2H2,1H3,(H2,17,20)(H,18,19)/t3-/m0/s1.
What are the key properties of (2S)-2-[[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]propanamide?
(2S)-2-[[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]propanamide has a molecular weight of 312.19 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2,3,4,5,6-pentafluorophenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 141000624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).