N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C20H26ClFN2O4 — CID 119809465

IUPACN-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(c1cccc(OC)c1)c1cc(F)ccc1OC.Cl
InChIInChI=1S/C20H25FN2O4.ClH/c1-25-10-9-22-13-19(24)23-20(14-5-4-6-16(11-14)26-2)17-12-15(21)7-8-18(17)27-3;/h4-8,11-12,20,22H,9-10,13H2,1-3H3,(H,23,24);1H
InChIKeyJIYOHLFDQHPNEA-UHFFFAOYSA-N
MW412.89 g/mol
LogP2.71
Rot. Bonds10

About N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119809465) has the molecular formula C20H26ClFN2O4 and a molecular weight of 412.89 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119809465
Molecular FormulaC20H26ClFN2O4
Molecular Weight412.89 g/mol
Exact Mass412.16
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)NC(c1cccc(OC)c1)c1cc(F)ccc1OC.Cl
InChIInChI=1S/C20H25FN2O4.ClH/c1-25-10-9-22-13-19(24)23-20(14-5-4-6-16(11-14)26-2)17-12-15(21)7-8-18(17)27-3;/h4-8,11-12,20,22H,9-10,13H2,1-3H3,(H,23,24);1H
InChIKeyJIYOHLFDQHPNEA-UHFFFAOYSA-N
XLogP2.71
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.89
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119809463
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912543
N-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 119748317
3-amino-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119809451
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119801663
6-fluoro-N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]pyridin-2-amine
CID 133341736
N-[(4-bromo-2-fluorophenyl)-phenylmethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119738549
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119674285
N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119742775
2-(2-methoxyethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119832222
1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 105394635
N-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine
CID 164631617

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119809465) is N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)NC(c1cccc(OC)c1)c1cc(F)ccc1OC.Cl.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is JIYOHLFDQHPNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4.ClH/c1-25-10-9-22-13-19(24)23-20(14-5-4-6-16(11-14)26-2)17-12-15(21)7-8-18(17)27-3;/h4-8,11-12,20,22H,9-10,13H2,1-3H3,(H,23,24);1H.
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 412.89 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119809465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).