methyl (2R)-2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-methylpropanoate

C18H19ClFNO3 — CID 175813154

IUPACmethyl (2R)-2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-methylpropanoate
SMILESCOC(=O)[C@](C)(N)Cc1ccc(OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H19ClFNO3/c1-18(21,17(22)23-2)10-12-6-8-13(9-7-12)24-11-14-15(19)4-3-5-16(14)20/h3-9H,10-11,21H2,1-2H3/t18-/m1/s1
InChIKeyLQVWNPXGXSFDBU-GOSISDBHSA-N
MW351.81 g/mol
LogP3.49
Rot. Bonds6

About methyl (2R)-2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-methylpropanoate

methyl (2R)-2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-methylpropanoate (PubChem CID 175813154) has the molecular formula C18H19ClFNO3 and a molecular weight of 351.81 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-methylpropanoate
PubChem CID175813154
Molecular FormulaC18H19ClFNO3
Molecular Weight351.81 g/mol
Exact Mass351.10
IUPAC Namemethyl (2R)-2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-methylpropanoate
SMILESCOC(=O)[C@](C)(N)Cc1ccc(OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C18H19ClFNO3/c1-18(21,17(22)23-2)10-12-6-8-13(9-7-12)24-11-14-15(19)4-3-5-16(14)20/h3-9H,10-11,21H2,1-2H3/t18-/m1/s1
InChIKeyLQVWNPXGXSFDBU-GOSISDBHSA-N
XLogP3.49
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 61496605
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83950958
3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880366
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39443756
N-[(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2-methylpropanamide
CID 39818810
2-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-4-methylpentanoic acid
CID 66528375
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
methyl 5-amino-2-[(2-chloro-6-fluorophenyl)methoxy]benzoate
CID 106955704
(1R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 63367550
methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
CID 22386629
methyl 3-(2-chloro-6-fluorophenyl)-2-cyano-2-methylpropanoate
CID 75366566
dimethyl 4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232733

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-methylpropanoate?
The IUPAC name of methyl (2R)-2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-methylpropanoate (CID 175813154) is methyl (2R)-2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-methylpropanoate?
The canonical SMILES for methyl (2R)-2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-methylpropanoate is COC(=O)[C@](C)(N)Cc1ccc(OCc2c(F)cccc2Cl)cc1.
What is the InChIKey of methyl (2R)-2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-methylpropanoate?
The InChIKey is LQVWNPXGXSFDBU-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19ClFNO3/c1-18(21,17(22)23-2)10-12-6-8-13(9-7-12)24-11-14-15(19)4-3-5-16(14)20/h3-9H,10-11,21H2,1-2H3/t18-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-methylpropanoate?
methyl (2R)-2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-methylpropanoate has a molecular weight of 351.81 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-methylpropanoate is sourced from PubChem (CID 175813154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).