2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide

C18H16ClN3O3 — CID 3779132

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C18H16ClN3O3/c1-10-9-12(19)7-8-15(10)25-11(2)17(23)22-21-16-13-5-3-4-6-14(13)20-18(16)24/h3-9,11,20,24H,1-2H3/b22-21+
InChIKeyDQZNMAGMMOZWIL-QURGRASLSA-N
MW357.80 g/mol
LogP4.91
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide

2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide (PubChem CID 3779132) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
PubChem CID3779132
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C18H16ClN3O3/c1-10-9-12(19)7-8-15(10)25-11(2)17(23)22-21-16-13-5-3-4-6-14(13)20-18(16)24/h3-9,11,20,24H,1-2H3/b22-21+
InChIKeyDQZNMAGMMOZWIL-QURGRASLSA-N
XLogP4.91
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(4-chlorophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
CID 4634014
(2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide
CID 766456
N-[(7-bromo-5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 4633492
2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 1125969
3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol
CID 136860025
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 3504473
2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide
CID 4500392
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242
(2S)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-phenoxypropanamide
CID 135677932
deuterio 2-(4-chloro-2-methylphenoxy)propanoate
CID 138402743
2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135606908

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide (CID 3779132) is 2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide?
The InChIKey is DQZNMAGMMOZWIL-QURGRASLSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-10-9-12(19)7-8-15(10)25-11(2)17(23)22-21-16-13-5-3-4-6-14(13)20-18(16)24/h3-9,11,20,24H,1-2H3/b22-21+.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide?
2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide has a molecular weight of 357.80 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide is sourced from PubChem (CID 3779132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).