2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]acetamide

C20H21ClN4O2 — CID 9256927

IUPAC2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]acetamide
SMILESCc1cc(OCC(=O)N/N=C\c2ccc(N(C)CCC#N)cc2)ccc1Cl
InChIInChI=1S/C20H21ClN4O2/c1-15-12-18(8-9-19(15)21)27-14-20(26)24-23-13-16-4-6-17(7-5-16)25(2)11-3-10-22/h4-9,12-13H,3,11,14H2,1-2H3,(H,24,26)/b23-13-
InChIKeyHUPRBARCIWGODD-QRVIBDJDSA-N
MW384.87 g/mol
LogP3.53
Rot. Bonds8

About 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]acetamide

2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]acetamide (PubChem CID 9256927) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]acetamide
PubChem CID9256927
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]acetamide
SMILESCc1cc(OCC(=O)N/N=C\c2ccc(N(C)CCC#N)cc2)ccc1Cl
InChIInChI=1S/C20H21ClN4O2/c1-15-12-18(8-9-19(15)21)27-14-20(26)24-23-13-16-4-6-17(7-5-16)25(2)11-3-10-22/h4-9,12-13H,3,11,14H2,1-2H3,(H,24,26)/b23-13-
InChIKeyHUPRBARCIWGODD-QRVIBDJDSA-N
XLogP3.53
TPSA77.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]acetamide 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

2-(4-chloro-3-methylphenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 39819572
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide
CID 9316748
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426403
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 9316720
2-(4-chloro-3-methylphenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135412104
2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 71950738
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 19189648
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 6308469
N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]-4-(dimethylamino)benzamide
CID 6265781
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]acetamide
CID 9316746
[4-[(E)-[[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 43907008
2-(4-chloro-3-methylphenoxy)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 135643954

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]acetamide (CID 9256927) is 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]acetamide is Cc1cc(OCC(=O)N/N=C\c2ccc(N(C)CCC#N)cc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]acetamide?
The InChIKey is HUPRBARCIWGODD-QRVIBDJDSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-15-12-18(8-9-19(15)21)27-14-20(26)24-23-13-16-4-6-17(7-5-16)25(2)11-3-10-22/h4-9,12-13H,3,11,14H2,1-2H3,(H,24,26)/b23-13-.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]acetamide has a molecular weight of 384.87 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 9256927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).