2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

C16H16ClN3O3 — CID 135679312

IUPAC2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(/C=N/NC(=O)CNc2cccc(Cl)c2)c1O
InChIInChI=1S/C16H16ClN3O3/c1-23-14-7-2-4-11(16(14)22)9-19-20-15(21)10-18-13-6-3-5-12(17)8-13/h2-9,18,22H,10H2,1H3,(H,20,21)/b19-9+
InChIKeyIQEWRPQLHAVTOQ-DJKKODMXSA-N
MW333.78 g/mol
LogP2.62
Rot. Bonds6

About 2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 135679312) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
PubChem CID135679312
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(/C=N/NC(=O)CNc2cccc(Cl)c2)c1O
InChIInChI=1S/C16H16ClN3O3/c1-23-14-7-2-4-11(16(14)22)9-19-20-15(21)10-18-13-6-3-5-12(17)8-13/h2-9,18,22H,10H2,1H3,(H,20,21)/b19-9+
InChIKeyIQEWRPQLHAVTOQ-DJKKODMXSA-N
XLogP2.62
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-{[4-(4-Chloro-phenyl)-piperazin-1-ylimino]-methyl}-2-methoxy-phenol
CID 5726092
N-(3-chlorophenyl)-N'-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 334737
N-(3-chlorophenyl)-3-[(2Z)-2-(3,4-dimethoxybenzylidene)hydrazino]-3-oxopropanamide
CID 5457575
2-({2-[2-(2-hydroxy-3-methoxybenzylidene)hydrazino]-2-oxoethyl}thio)-N-phenylacetamide
CID 135438761
2-(N'-Benzo[1,3]dioxol-5-ylmethylene-hydrazino)-N-(3-chloro-phenyl)-2-oxo-acetamide
CID 6876706
N-(5-chloro-2-methylphenyl)-2-[2-(3-ethoxy-4-hydroxybenzylidene)hydrazino]-2-oxoacetamide
CID 135460584
2-({[4-(4-Chlorophenyl)piperazin-1-yl]imino}methyl)-6-ethoxyphenol
CID 135635826
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 137175240
(E)-N-[2-(3-chloroanilino)-2-oxoethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 162668374
1-Piperazineacetic acid, 4-phenyl-, ((3-hydroxy-4-methoxyphenyl)methylene)hydrazide
CID 9588025
1-Piperazineacetic acid, 4-phenyl-, ((2,3-dimethoxyphenyl)methylene)hydrazide
CID 9588027
1-Piperazineacetic acid, 4-(2-methylphenyl)-, ((3-hydroxy-4-methoxyphenyl)methylene)hydrazide
CID 9588031

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (CID 135679312) is 2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is COc1cccc(/C=N/NC(=O)CNc2cccc(Cl)c2)c1O.
What is the InChIKey of 2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is IQEWRPQLHAVTOQ-DJKKODMXSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-23-14-7-2-4-11(16(14)22)9-19-20-15(21)10-18-13-6-3-5-12(17)8-13/h2-9,18,22H,10H2,1H3,(H,20,21)/b19-9+.
What are the key properties of 2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 333.78 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135679312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).