2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride

C18H22ClFN2O3 — CID 120985182

IUPAC2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1.Cl
InChIInChI=1S/C18H21FN2O3.ClH/c1-23-12-17(20)18(22)21-10-13-5-7-16(8-6-13)24-11-14-3-2-4-15(19)9-14;/h2-9,17H,10-12,20H2,1H3,(H,21,22);1H
InChIKeyZTRUJJFFIGQINO-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.42
Rot. Bonds8

About 2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120985182) has the molecular formula C18H22ClFN2O3 and a molecular weight of 368.84 g/mol. Its IUPAC name is 2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride
PubChem CID120985182
Molecular FormulaC18H22ClFN2O3
Molecular Weight368.84 g/mol
Exact Mass368.13
IUPAC Name2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1.Cl
InChIInChI=1S/C18H21FN2O3.ClH/c1-23-12-17(20)18(22)21-10-13-5-7-16(8-6-13)24-11-14-3-2-4-15(19)9-14;/h2-9,17H,10-12,20H2,1H3,(H,21,22);1H
InChIKeyZTRUJJFFIGQINO-UHFFFAOYSA-N
XLogP2.42
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide;hydrochloride
CID 119283180
(2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide
CID 153327338
2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120985987
2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 120985903
2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide
CID 120985316
2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 46222705
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-nitroso-2-pyridin-2-ylacetamide
CID 123999268
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10193260
4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide
CID 119283185
(2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 54757279
2-acetamido-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-(1,3-thiazol-2-yl)acetamide
CID 58115516

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride (CID 120985182) is 2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NCc1ccc(OCc2cccc(F)c2)cc1.Cl.
What is the InChIKey of 2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is ZTRUJJFFIGQINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3.ClH/c1-23-12-17(20)18(22)21-10-13-5-7-16(8-6-13)24-11-14-3-2-4-15(19)9-14;/h2-9,17H,10-12,20H2,1H3,(H,21,22);1H.
What are the key properties of 2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 368.84 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120985182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).