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

C17H14ClN3O3 — CID 4634014

IUPAC2-(4-chlorophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C17H14ClN3O3/c1-10(24-12-8-6-11(18)7-9-12)16(22)21-20-15-13-4-2-3-5-14(13)19-17(15)23/h2-10,19,23H,1H3/b21-20+
InChIKeyJJQHUWIXYMXXON-QZQOTICOSA-N
MW343.77 g/mol
LogP4.60
Rot. Bonds4

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

2-(4-chlorophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide (PubChem CID 4634014) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
PubChem CID4634014
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name2-(4-chlorophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C17H14ClN3O3/c1-10(24-12-8-6-11(18)7-9-12)16(22)21-20-15-13-4-2-3-5-14(13)19-17(15)23/h2-10,19,23H,1H3/b21-20+
InChIKeyJJQHUWIXYMXXON-QZQOTICOSA-N
XLogP4.60
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 54.60
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

(2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide
CID 766456
2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
CID 3779132
(2S)-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-phenoxypropanamide
CID 135677932
4-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]pentanamide
CID 3134459
2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135802167
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137151293
2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 1125969
N-[(7-bromo-5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 4633492
(2R)-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-chlorophenyl)sulfanylpropanamide
CID 137172332
2-(N-(4-tert-butylphenyl)sulfonyl-4-chloroanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135414288
N-[(2-hydroxy-1H-indol-3-yl)imino]cyclopropanecarboxamide
CID 922351
5-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]pyrazolidine-3-carboxamide
CID 137265679

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide (CID 4634014) is 2-(4-chlorophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide is CC(Oc1ccc(Cl)cc1)C(=O)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide?
The InChIKey is JJQHUWIXYMXXON-QZQOTICOSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-10(24-12-8-6-11(18)7-9-12)16(22)21-20-15-13-4-2-3-5-14(13)19-17(15)23/h2-10,19,23H,1H3/b21-20+.
What are the key properties of 2-(4-chlorophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide?
2-(4-chlorophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide has a molecular weight of 343.77 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide is sourced from PubChem (CID 4634014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).