[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] (Z)-3-(4-propan-2-ylphenyl)prop-2-enoate

C20H21ClN2O3 — CID 19295940

IUPAC[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] (Z)-3-(4-propan-2-ylphenyl)prop-2-enoate
SMILESCOc1ccc(Cl)cc1/C(N)=N/OC(=O)/C=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C20H21ClN2O3/c1-13(2)15-7-4-14(5-8-15)6-11-19(24)26-23-20(22)17-12-16(21)9-10-18(17)25-3/h4-13H,1-3H3,(H2,22,23)/b11-6-
InChIKeyFQDARLGTTMZLTB-WDZFZDKYSA-N
MW372.85 g/mol
LogP4.35
Rot. Bonds6

About [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] (Z)-3-(4-propan-2-ylphenyl)prop-2-enoate

[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] (Z)-3-(4-propan-2-ylphenyl)prop-2-enoate (PubChem CID 19295940) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] (Z)-3-(4-propan-2-ylphenyl)prop-2-enoate.

Molecular Properties

Compound Name[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] (Z)-3-(4-propan-2-ylphenyl)prop-2-enoate
PubChem CID19295940
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] (Z)-3-(4-propan-2-ylphenyl)prop-2-enoate
SMILESCOc1ccc(Cl)cc1/C(N)=N/OC(=O)/C=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C20H21ClN2O3/c1-13(2)15-7-4-14(5-8-15)6-11-19(24)26-23-20(22)17-12-16(21)9-10-18(17)25-3/h4-13H,1-3H3,(H2,22,23)/b11-6-
InChIKeyFQDARLGTTMZLTB-WDZFZDKYSA-N
XLogP4.35
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 78574904
[(Z)-[amino(thiophen-2-yl)methylidene]amino] (Z)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 19296276
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate
CID 19296098
(E)-1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 7946128
[(E)-[amino(pyridin-4-yl)methylidene]amino] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 6152988
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] cyclohexanecarboxylate
CID 19296203
(4-chloro-2-methylphenyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 720791
[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 41332901
(E)-N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1121350
propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 67541560
[4-[(E)-2-cyano-2-(2-fluorophenyl)ethenyl]-2-methoxyphenyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 39114232
5-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 76997856

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] (Z)-3-(4-propan-2-ylphenyl)prop-2-enoate?
The IUPAC name of [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] (Z)-3-(4-propan-2-ylphenyl)prop-2-enoate (CID 19295940) is [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] (Z)-3-(4-propan-2-ylphenyl)prop-2-enoate.
What is the SMILES notation for [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] (Z)-3-(4-propan-2-ylphenyl)prop-2-enoate?
The canonical SMILES for [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] (Z)-3-(4-propan-2-ylphenyl)prop-2-enoate is COc1ccc(Cl)cc1/C(N)=N/OC(=O)/C=C\c1ccc(C(C)C)cc1.
What is the InChIKey of [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] (Z)-3-(4-propan-2-ylphenyl)prop-2-enoate?
The InChIKey is FQDARLGTTMZLTB-WDZFZDKYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-13(2)15-7-4-14(5-8-15)6-11-19(24)26-23-20(22)17-12-16(21)9-10-18(17)25-3/h4-13H,1-3H3,(H2,22,23)/b11-6-.
What are the key properties of [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] (Z)-3-(4-propan-2-ylphenyl)prop-2-enoate?
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] (Z)-3-(4-propan-2-ylphenyl)prop-2-enoate has a molecular weight of 372.85 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] (Z)-3-(4-propan-2-ylphenyl)prop-2-enoate is sourced from PubChem (CID 19295940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).