(2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide

C20H20FN3O3 — CID 135747864

IUPAC(2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide
SMILESCCn1c(O)c(/N=N/C(=O)[C@@H](C)Oc2ccccc2F)c2cc(C)ccc21
InChIInChI=1S/C20H20FN3O3/c1-4-24-16-10-9-12(2)11-14(16)18(20(24)26)22-23-19(25)13(3)27-17-8-6-5-7-15(17)21/h5-11,13,26H,4H2,1-3H3/b23-22+/t13-/m1/s1
InChIKeySEKIEIQDQNIZNE-IKYLFJRQSA-N
MW369.40 g/mol
LogP4.89
Rot. Bonds5

About (2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide

(2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide (PubChem CID 135747864) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is (2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide
PubChem CID135747864
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name(2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide
SMILESCCn1c(O)c(/N=N/C(=O)[C@@H](C)Oc2ccccc2F)c2cc(C)ccc21
InChIInChI=1S/C20H20FN3O3/c1-4-24-16-10-9-12(2)11-14(16)18(20(24)26)22-23-19(25)13(3)27-17-8-6-5-7-15(17)21/h5-11,13,26H,4H2,1-3H3/b23-22+/t13-/m1/s1
InChIKeySEKIEIQDQNIZNE-IKYLFJRQSA-N
XLogP4.89
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546
N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide
CID 135575866
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide
CID 166435290
N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide
CID 4501413
2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide
CID 135838548
1-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 135747815
2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide
CID 4501600
N,N'-bis[[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide
CID 4503012
1-ethyl-5-methyl-3-[(2-nitrophenyl)diazenyl]indol-2-ol
CID 135819452
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide
CID 4504457
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide
CID 4504817
N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide
CID 4502441

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide?
The IUPAC name of (2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide (CID 135747864) is (2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide?
The canonical SMILES for (2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide is CCn1c(O)c(/N=N/C(=O)[C@@H](C)Oc2ccccc2F)c2cc(C)ccc21.
What is the InChIKey of (2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide?
The InChIKey is SEKIEIQDQNIZNE-IKYLFJRQSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-4-24-16-10-9-12(2)11-14(16)18(20(24)26)22-23-19(25)13(3)27-17-8-6-5-7-15(17)21/h5-11,13,26H,4H2,1-3H3/b23-22+/t13-/m1/s1.
What are the key properties of (2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide?
(2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide has a molecular weight of 369.40 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide is sourced from PubChem (CID 135747864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).