2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide

C21H22ClN3O3 — CID 4500392

IUPAC2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide
SMILESCCn1c(O)c(/N=N/C(=O)C(C)Oc2ccc(Cl)cc2C)c2cc(C)ccc21
InChIInChI=1S/C21H22ClN3O3/c1-5-25-17-8-6-12(2)10-16(17)19(21(25)27)23-24-20(26)14(4)28-18-9-7-15(22)11-13(18)3/h6-11,14,27H,5H2,1-4H3/b24-23+
InChIKeyBYNCZZONVPPELO-WCWDXBQESA-N
MW399.88 g/mol
LogP5.71
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide

2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide (PubChem CID 4500392) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide
PubChem CID4500392
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide
SMILESCCn1c(O)c(/N=N/C(=O)C(C)Oc2ccc(Cl)cc2C)c2cc(C)ccc21
InChIInChI=1S/C21H22ClN3O3/c1-5-25-17-8-6-12(2)10-16(17)19(21(25)27)23-24-20(26)14(4)28-18-9-7-15(22)11-13(18)3/h6-11,14,27H,5H2,1-4H3/b24-23+
InChIKeyBYNCZZONVPPELO-WCWDXBQESA-N
XLogP5.71
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.88
LogP ≤ 55.71
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'}

Analyze 2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide
CID 135747864
N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide
CID 135575866
2-(2,4-dichlorophenoxy)-N-[2-hydroxy-5-methyl-1-(3-methylbutyl)indol-3-yl]iminoacetamide
CID 4503375
2-(4-chlorophenoxy)-N-[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]iminoacetamide
CID 4503165
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546
2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
CID 3779132
N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-methylbenzenesulfonamide
CID 2295445
1-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 135747815
2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide
CID 135838548
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide
CID 4506316
N-(5-chloro-1-ethyl-2-hydroxyindol-3-yl)imino-4-hydrazinyl-4-oxobutanamide
CID 135738262
N-[(7-bromo-5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 4633492

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide (CID 4500392) is 2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide is CCn1c(O)c(/N=N/C(=O)C(C)Oc2ccc(Cl)cc2C)c2cc(C)ccc21.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide?
The InChIKey is BYNCZZONVPPELO-WCWDXBQESA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-5-25-17-8-6-12(2)10-16(17)19(21(25)27)23-24-20(26)14(4)28-18-9-7-15(22)11-13(18)3/h6-11,14,27H,5H2,1-4H3/b24-23+.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide?
2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide has a molecular weight of 399.88 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide is sourced from PubChem (CID 4500392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).