2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide

C21H18ClN3O2 — CID 3534391

IUPAC2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NN=C(c1ccccc1)c1ccccn1
InChIInChI=1S/C21H18ClN3O2/c1-15-13-17(22)10-11-19(15)27-14-20(26)24-25-21(16-7-3-2-4-8-16)18-9-5-6-12-23-18/h2-13H,14H2,1H3,(H,24,26)
InChIKeyNQEDARYSCVZUOJ-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.99
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide

2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide (PubChem CID 3534391) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
PubChem CID3534391
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NN=C(c1ccccc1)c1ccccn1
InChIInChI=1S/C21H18ClN3O2/c1-15-13-17(22)10-11-19(15)27-14-20(26)24-25-21(16-7-3-2-4-8-16)18-9-5-6-12-23-18/h2-13H,14H2,1H3,(H,24,26)
InChIKeyNQEDARYSCVZUOJ-UHFFFAOYSA-N
XLogP3.99
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 3256701
ethyl N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 6022033
2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25386860
2-(4-chloro-2-methylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 5050963
N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-chloro-2-methylphenoxy)acetamide
CID 9317278
2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9317091
2-(4-acetyl-2-methoxyphenoxy)-N-(benzhydrylideneamino)acetamide
CID 7695777
3,4,5-triethoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4059850
2-(4-chloro-2-methylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 2545386
2-(4-chloro-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 909508
methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9218105
4-[(4-chloro-3-methylphenoxy)methyl]-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6263348

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide (CID 3534391) is 2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide is Cc1cc(Cl)ccc1OCC(=O)NN=C(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide?
The InChIKey is NQEDARYSCVZUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-15-13-17(22)10-11-19(15)27-14-20(26)24-25-21(16-7-3-2-4-8-16)18-9-5-6-12-23-18/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide has a molecular weight of 379.85 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide is sourced from PubChem (CID 3534391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).