N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide

C18H17ClN2O3 — CID 9315920

IUPACN-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N/N=C\C(Cl)=C\c2ccccc2)cc1
InChIInChI=1S/C18H17ClN2O3/c1-23-16-7-9-17(10-8-16)24-13-18(22)21-20-12-15(19)11-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,21,22)/b15-11-,20-12-
InChIKeyQXGUMYFNDSFWJC-FZDVSRPBSA-N
MW344.80 g/mol
LogP3.46
Rot. Bonds7

About N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide

N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide (PubChem CID 9315920) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide
PubChem CID9315920
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)N/N=C\C(Cl)=C\c2ccccc2)cc1
InChIInChI=1S/C18H17ClN2O3/c1-23-16-7-9-17(10-8-16)24-13-18(22)21-20-12-15(19)11-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,21,22)/b15-11-,20-12-
InChIKeyQXGUMYFNDSFWJC-FZDVSRPBSA-N
XLogP3.46
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.46
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-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6245542
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5393352
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524
2-(3-chlorophenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
CID 2852207
2-(3,4-dimethylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
CID 71831047
2-(4-methoxyphenoxy)-N-(propylideneamino)acetamide
CID 4633762
2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 912843
N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 6878839
[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6271641
2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 7606350
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4236788

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide (CID 9315920) is N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)N/N=C\C(Cl)=C\c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is QXGUMYFNDSFWJC-FZDVSRPBSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-23-16-7-9-17(10-8-16)24-13-18(22)21-20-12-15(19)11-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,21,22)/b15-11-,20-12-.
What are the key properties of N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide?
N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 344.80 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 9315920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).