3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

C18H20Cl2N2O3 — CID 109031081

IUPAC3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)CCNc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H20Cl2N2O3/c1-24-14-3-5-15(6-4-14)25-11-10-22-18(23)8-9-21-17-7-2-13(19)12-16(17)20/h2-7,12,21H,8-11H2,1H3,(H,22,23)
InChIKeyPMFXHIAUKZUUTL-UHFFFAOYSA-N
MW383.28 g/mol
LogP4.00
Rot. Bonds9

About 3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (PubChem CID 109031081) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is 3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
PubChem CID109031081
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC Name3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)CCNc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H20Cl2N2O3/c1-24-14-3-5-15(6-4-14)25-11-10-22-18(23)8-9-21-17-7-2-13(19)12-16(17)20/h2-7,12,21H,8-11H2,1H3,(H,22,23)
InChIKeyPMFXHIAUKZUUTL-UHFFFAOYSA-N
XLogP4.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031086
3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031043
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005315
3-(3-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031059
2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 8935879
3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025804
2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
CID 8935033
3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031057
N'-(4-chloro-2-methylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108524113
3-(3-fluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031072
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide
CID 34409690

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The IUPAC name of 3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (CID 109031081) is 3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The canonical SMILES for 3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is COc1ccc(OCCNC(=O)CCNc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The InChIKey is PMFXHIAUKZUUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3/c1-24-14-3-5-15(6-4-14)25-11-10-22-18(23)8-9-21-17-7-2-13(19)12-16(17)20/h2-7,12,21H,8-11H2,1H3,(H,22,23).
What are the key properties of 3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide has a molecular weight of 383.28 g/mol, XLogP of 4.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is sourced from PubChem (CID 109031081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).