N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide

C18H20ClNO4 — CID 56501217

IUPACN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1cc(Cl)ccc1Oc1ccc(OC)cc1
InChIInChI=1S/C18H20ClNO4/c1-3-23-11-10-18(21)20-16-12-13(19)4-9-17(16)24-15-7-5-14(22-2)6-8-15/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyZTFOROXKTPMXRR-UHFFFAOYSA-N
MW349.81 g/mol
LogP4.51
Rot. Bonds8

About N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide

N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide (PubChem CID 56501217) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide
PubChem CID56501217
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC NameN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1cc(Cl)ccc1Oc1ccc(OC)cc1
InChIInChI=1S/C18H20ClNO4/c1-3-23-11-10-18(21)20-16-12-13(19)4-9-17(16)24-15-7-5-14(22-2)6-8-15/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyZTFOROXKTPMXRR-UHFFFAOYSA-N
XLogP4.51
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide 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

N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide
CID 100665009
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]pentanamide
CID 2563930
N-[5-chloro-2-(4-methylphenoxy)phenyl]-4-(2-methoxyethoxy)butanamide
CID 60567428
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(6-chloro-3-pyridinyl)acetamide
CID 86933421
N-(5-chloro-2-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55906615
N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide
CID 100789597
3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide
CID 108789526
ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 9073367
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-ethoxypropanamide
CID 81263961
N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide
CID 19184672
(3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784613
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide?
The IUPAC name of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide (CID 56501217) is N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide.
What is the SMILES notation for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide?
The canonical SMILES for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide is CCOCCC(=O)Nc1cc(Cl)ccc1Oc1ccc(OC)cc1.
What is the InChIKey of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide?
The InChIKey is ZTFOROXKTPMXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-3-23-11-10-18(21)20-16-12-13(19)4-9-17(16)24-15-7-5-14(22-2)6-8-15/h4-9,12H,3,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide?
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide has a molecular weight of 349.81 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide is sourced from PubChem (CID 56501217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).