2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride

C25H28ClFN2O3 — CID 66591267

IUPAC2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride
SMILESCOc1cc(CCN(CC(N)=O)Cc2ccccc2)ccc1OCc1cccc(F)c1.Cl
InChIInChI=1S/C25H27FN2O3.ClH/c1-30-24-15-19(10-11-23(24)31-18-21-8-5-9-22(26)14-21)12-13-28(17-25(27)29)16-20-6-3-2-4-7-20;/h2-11,14-15H,12-13,16-18H2,1H3,(H2,27,29);1H
InChIKeyCJDVJADOOUNJKI-UHFFFAOYSA-N
MW458.96 g/mol
LogP4.37
Rot. Bonds11

About 2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride

2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride (PubChem CID 66591267) has the molecular formula C25H28ClFN2O3 and a molecular weight of 458.96 g/mol. Its IUPAC name is 2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride
PubChem CID66591267
Molecular FormulaC25H28ClFN2O3
Molecular Weight458.96 g/mol
Exact Mass458.18
IUPAC Name2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride
SMILESCOc1cc(CCN(CC(N)=O)Cc2ccccc2)ccc1OCc1cccc(F)c1.Cl
InChIInChI=1S/C25H27FN2O3.ClH/c1-30-24-15-19(10-11-23(24)31-18-21-8-5-9-22(26)14-21)12-13-28(17-25(27)29)16-20-6-3-2-4-7-20;/h2-11,14-15H,12-13,16-18H2,1H3,(H2,27,29);1H
InChIKeyCJDVJADOOUNJKI-UHFFFAOYSA-N
XLogP4.37
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.96
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetic acid
CID 142696090
CID 161071663
CID 161071663
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-(furan-3-ylmethyl)amino]-N-methylacetamide;hydrochloride
CID 66591709
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
CID 66591165
methyl 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]propanoate
CID 59596823
2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 8694017
N-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 2845777
3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 18442581
4-[cyclopropylmethyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]-N-methylbutanamide;hydrochloride
CID 142758285
3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866274
ethyl 3-[benzyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]amino]propanoate
CID 3541865
4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide
CID 68669823

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride?
The IUPAC name of 2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride (CID 66591267) is 2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride.
What is the SMILES notation for 2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride?
The canonical SMILES for 2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride is COc1cc(CCN(CC(N)=O)Cc2ccccc2)ccc1OCc1cccc(F)c1.Cl.
What is the InChIKey of 2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride?
The InChIKey is CJDVJADOOUNJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3.ClH/c1-30-24-15-19(10-11-23(24)31-18-21-8-5-9-22(26)14-21)12-13-28(17-25(27)29)16-20-6-3-2-4-7-20;/h2-11,14-15H,12-13,16-18H2,1H3,(H2,27,29);1H.
What are the key properties of 2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride?
2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride has a molecular weight of 458.96 g/mol, XLogP of 4.37, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl]amino]acetamide;hydrochloride is sourced from PubChem (CID 66591267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).