(2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide

C12H12Cl3NO2 — CID 7832796

IUPAC(2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
SMILESC[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NC1CC1
InChIInChI=1S/C12H12Cl3NO2/c1-6(12(17)16-7-2-3-7)18-11-5-9(14)8(13)4-10(11)15/h4-7H,2-3H2,1H3,(H,16,17)/t6-/m0/s1
InChIKeyVSFXXWWWMRGUDU-LURJTMIESA-N
MW308.59 g/mol
LogP3.69
Rot. Bonds4

About (2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide

(2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide (PubChem CID 7832796) has the molecular formula C12H12Cl3NO2 and a molecular weight of 308.59 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
PubChem CID7832796
Molecular FormulaC12H12Cl3NO2
Molecular Weight308.59 g/mol
Exact Mass306.99
IUPAC Name(2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
SMILESC[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NC1CC1
InChIInChI=1S/C12H12Cl3NO2/c1-6(12(17)16-7-2-3-7)18-11-5-9(14)8(13)4-10(11)15/h4-7H,2-3H2,1H3,(H,16,17)/t6-/m0/s1
InChIKeyVSFXXWWWMRGUDU-LURJTMIESA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.59
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832797
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide
CID 113389862
2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide
CID 146122600
2-(2-chloro-4-fluorophenoxy)-N-(4-methylcyclohexyl)propanamide
CID 78840990
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862559
(2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 8764804
(2R)-N-cyclopentyl-2-(3,4-dichlorophenoxy)propanamide
CID 2706554
(2S)-2-(2-chloro-4-phenylphenoxy)-N-cyclopentylpropanamide
CID 7652970
(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
CID 688652
2-(2,4,5-trichlorophenoxy)propanoic acid
CID 21473131

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide (CID 7832796) is (2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide is C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide?
The InChIKey is VSFXXWWWMRGUDU-LURJTMIESA-N. The full InChI is InChI=1S/C12H12Cl3NO2/c1-6(12(17)16-7-2-3-7)18-11-5-9(14)8(13)4-10(11)15/h4-7H,2-3H2,1H3,(H,16,17)/t6-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide?
(2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide has a molecular weight of 308.59 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide is sourced from PubChem (CID 7832796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).