N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-phenylpropanamide

C18H19ClN2O3 — CID 137168721

IUPACN-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
SMILESCCOc1cc(/C=N\NC(=O)CCc2ccccc2)cc(Cl)c1O
InChIInChI=1S/C18H19ClN2O3/c1-2-24-16-11-14(10-15(19)18(16)23)12-20-21-17(22)9-8-13-6-4-3-5-7-13/h3-7,10-12,23H,2,8-9H2,1H3,(H,21,22)/b20-12-
InChIKeyIFQZZEIOIMDVMM-NDENLUEZSA-N
MW346.81 g/mol
LogP3.53
Rot. Bonds7

About N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-phenylpropanamide

N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-phenylpropanamide (PubChem CID 137168721) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
PubChem CID137168721
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
SMILESCCOc1cc(/C=N\NC(=O)CCc2ccccc2)cc(Cl)c1O
InChIInChI=1S/C18H19ClN2O3/c1-2-24-16-11-14(10-15(19)18(16)23)12-20-21-17(22)9-8-13-6-4-3-5-7-13/h3-7,10-12,23H,2,8-9H2,1H3,(H,21,22)/b20-12-
InChIKeyIFQZZEIOIMDVMM-NDENLUEZSA-N
XLogP3.53
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135643375
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 136789438
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 137156032
(2S)-N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 137138694
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 137122829
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135784611
2-bromo-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135554853
N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515314
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135673817
tert-butyl N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]carbamate
CID 136831624
N-[(E)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 137068230
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 137085188

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-phenylpropanamide?
The IUPAC name of N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-phenylpropanamide (CID 137168721) is N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-phenylpropanamide is CCOc1cc(/C=N\NC(=O)CCc2ccccc2)cc(Cl)c1O.
What is the InChIKey of N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-phenylpropanamide?
The InChIKey is IFQZZEIOIMDVMM-NDENLUEZSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-2-24-16-11-14(10-15(19)18(16)23)12-20-21-17(22)9-8-13-6-4-3-5-7-13/h3-7,10-12,23H,2,8-9H2,1H3,(H,21,22)/b20-12-.
What are the key properties of N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-phenylpropanamide?
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-phenylpropanamide has a molecular weight of 346.81 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 137168721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).