N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride

C18H24Cl3N3O2 — CID 119549697

IUPACN-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
SMILESCOc1ccc(Cl)cc1NCCC(=O)NCCc1ccc(N)cc1.Cl.Cl
InChIInChI=1S/C18H22ClN3O2.2ClH/c1-24-17-7-4-14(19)12-16(17)21-11-9-18(23)22-10-8-13-2-5-15(20)6-3-13;;/h2-7,12,21H,8-11,20H2,1H3,(H,22,23);2*1H
InChIKeyKWZLZJDIJKZPSH-UHFFFAOYSA-N
MW420.77 g/mol
LogP3.94
Rot. Bonds8

About N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride

N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride (PubChem CID 119549697) has the molecular formula C18H24Cl3N3O2 and a molecular weight of 420.77 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
PubChem CID119549697
Molecular FormulaC18H24Cl3N3O2
Molecular Weight420.77 g/mol
Exact Mass419.09
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
SMILESCOc1ccc(Cl)cc1NCCC(=O)NCCc1ccc(N)cc1.Cl.Cl
InChIInChI=1S/C18H22ClN3O2.2ClH/c1-24-17-7-4-14(19)12-16(17)21-11-9-18(23)22-10-8-13-2-5-15(20)6-3-13;;/h2-7,12,21H,8-11,20H2,1H3,(H,22,23);2*1H
InChIKeyKWZLZJDIJKZPSH-UHFFFAOYSA-N
XLogP3.94
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.77
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-2-methoxyanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 47824686
N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
CID 119385515
N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide
CID 109027954
3-(4-aminophenyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 28713135
3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025804
3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 109027769
2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 26417313
3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide
CID 120827355
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 109028066
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]urea
CID 108875470
N-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide
CID 119525101

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride (CID 119549697) is N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride is COc1ccc(Cl)cc1NCCC(=O)NCCc1ccc(N)cc1.Cl.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride?
The InChIKey is KWZLZJDIJKZPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2.2ClH/c1-24-17-7-4-14(19)12-16(17)21-11-9-18(23)22-10-8-13-2-5-15(20)6-3-13;;/h2-7,12,21H,8-11,20H2,1H3,(H,22,23);2*1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride?
N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride has a molecular weight of 420.77 g/mol, XLogP of 3.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride is sourced from PubChem (CID 119549697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).