N-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide

C23H19ClN2O2 — CID 129437635

IUPACN-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NN=C/C=C\c1ccccc1Cl
InChIInChI=1S/C23H19ClN2O2/c24-22-11-5-4-9-20(22)10-6-16-25-26-23(27)17-28-21-14-12-19(13-15-21)18-7-2-1-3-8-18/h1-16H,17H2,(H,26,27)/b10-6-,25-16?
InChIKeyAVPWZSPRRKKGMO-CEKDHKEPSA-N
MW390.87 g/mol
LogP5.20
Rot. Bonds7

About N-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide

N-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide (PubChem CID 129437635) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide
PubChem CID129437635
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC NameN-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NN=C/C=C\c1ccccc1Cl
InChIInChI=1S/C23H19ClN2O2/c24-22-11-5-4-9-20(22)10-6-16-25-26-23(27)17-28-21-14-12-19(13-15-21)18-7-2-1-3-8-18/h1-16H,17H2,(H,26,27)/b10-6-,25-16?
InChIKeyAVPWZSPRRKKGMO-CEKDHKEPSA-N
XLogP5.20
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(cinnamylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4198781
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 6287016
2-(4-bromophenoxy)-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 129438781
2-(4-cyanophenoxy)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]acetamide
CID 6823301
N-(but-2-enylideneamino)-2-phenoxyacetamide
CID 4285683
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 9316682
N-[(Z)-(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135643946
N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135590240
2-(4-phenylphenoxy)-N-[[(2S)-2-phenylpropylidene]amino]acetamide
CID 129439170
2-[(2-phenoxyacetyl)amino]-N-[[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 11979311
(E)-3-(2-chlorophenyl)-N'-[2-[4-(4-cyanophenyl)phenoxy]acetyl]prop-2-enehydrazide
CID 24636166
N-[(Z)-[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]pyridine-2-carboxamide
CID 7346885

Frequently Asked Questions

What is the IUPAC name of N-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide?
The IUPAC name of N-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide (CID 129437635) is N-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide.
What is the SMILES notation for N-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide?
The canonical SMILES for N-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide is O=C(COc1ccc(-c2ccccc2)cc1)NN=C/C=C\c1ccccc1Cl.
What is the InChIKey of N-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide?
The InChIKey is AVPWZSPRRKKGMO-CEKDHKEPSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c24-22-11-5-4-9-20(22)10-6-16-25-26-23(27)17-28-21-14-12-19(13-15-21)18-7-2-1-3-8-18/h1-16H,17H2,(H,26,27)/b10-6-,25-16?.
What are the key properties of N-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide?
N-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide has a molecular weight of 390.87 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide is sourced from PubChem (CID 129437635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).