4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride

C20H26Cl3N3O3 — CID 119834795

IUPAC4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCc1ccccc1CN1CCOCC1.Cl.Cl
InChIInChI=1S/C20H24ClN3O3.2ClH/c1-26-19-11-18(22)17(21)10-16(19)20(25)23-12-14-4-2-3-5-15(14)13-24-6-8-27-9-7-24;;/h2-5,10-11H,6-9,12-13,22H2,1H3,(H,23,25);2*1H
InChIKeyAGXOFHFBKQKNCO-UHFFFAOYSA-N
MW462.81 g/mol
LogP3.54
Rot. Bonds6

About 4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride

4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride (PubChem CID 119834795) has the molecular formula C20H26Cl3N3O3 and a molecular weight of 462.81 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride
PubChem CID119834795
Molecular FormulaC20H26Cl3N3O3
Molecular Weight462.81 g/mol
Exact Mass461.10
IUPAC Name4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCc1ccccc1CN1CCOCC1.Cl.Cl
InChIInChI=1S/C20H24ClN3O3.2ClH/c1-26-19-11-18(22)17(21)10-16(19)20(25)23-12-14-4-2-3-5-15(14)13-24-6-8-27-9-7-24;;/h2-5,10-11H,6-9,12-13,22H2,1H3,(H,23,25);2*1H
InChIKeyAGXOFHFBKQKNCO-UHFFFAOYSA-N
XLogP3.54
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.81
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-2-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 119847226
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CID 119835495
2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 9481549
4-amino-5-chloro-2-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 119836255
4-amino-5-chloro-2-methoxy-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 119830234
4-amino-5-chloro-N-[[4-[(2-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 3087006
4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride
CID 119830565
1-(3-chloro-4-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea
CID 100749481
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17427270
1-methoxy-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 47160584
2-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17437691

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride (CID 119834795) is 4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride is COc1cc(N)c(Cl)cc1C(=O)NCc1ccccc1CN1CCOCC1.Cl.Cl.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride?
The InChIKey is AGXOFHFBKQKNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3.2ClH/c1-26-19-11-18(22)17(21)10-16(19)20(25)23-12-14-4-2-3-5-15(14)13-24-6-8-27-9-7-24;;/h2-5,10-11H,6-9,12-13,22H2,1H3,(H,23,25);2*1H.
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride?
4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride has a molecular weight of 462.81 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119834795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).