2-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propanoic acid

C18H19ClFNO4 — CID 66529359

IUPAC2-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propanoic acid
SMILESCOc1cc(CNC(C)C(=O)O)c(Cl)cc1OCc1ccccc1F
InChIInChI=1S/C18H19ClFNO4/c1-11(18(22)23)21-9-13-7-16(24-2)17(8-14(13)19)25-10-12-5-3-4-6-15(12)20/h3-8,11,21H,9-10H2,1-2H3,(H,22,23)
InChIKeyGDMSCAPZCVMUQZ-UHFFFAOYSA-N
MW367.80 g/mol
LogP3.63
Rot. Bonds8

About 2-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propanoic acid

2-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propanoic acid (PubChem CID 66529359) has the molecular formula C18H19ClFNO4 and a molecular weight of 367.80 g/mol. Its IUPAC name is 2-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propanoic acid
PubChem CID66529359
Molecular FormulaC18H19ClFNO4
Molecular Weight367.80 g/mol
Exact Mass367.10
IUPAC Name2-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propanoic acid
SMILESCOc1cc(CNC(C)C(=O)O)c(Cl)cc1OCc1ccccc1F
InChIInChI=1S/C18H19ClFNO4/c1-11(18(22)23)21-9-13-7-16(24-2)17(8-14(13)19)25-10-12-5-3-4-6-15(12)20/h3-8,11,21H,9-10H2,1-2H3,(H,22,23)
InChIKeyGDMSCAPZCVMUQZ-UHFFFAOYSA-N
XLogP3.63
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanoic acid
CID 66530993
N-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 66529430
4-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]benzoic acid
CID 66540148
2-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propanoic acid
CID 66527723
N-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine
CID 66529378
2-[[2-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 66531046
N-[[2-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 66531075
2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
CID 66530031
2-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]propanoic acid
CID 66527672
2-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]acetic acid
CID 66530272
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-4-methylpentanoic acid
CID 66527077
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-4-phenylbutan-2-amine
CID 66529561

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propanoic acid?
The IUPAC name of 2-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propanoic acid (CID 66529359) is 2-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propanoic acid?
The canonical SMILES for 2-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propanoic acid is COc1cc(CNC(C)C(=O)O)c(Cl)cc1OCc1ccccc1F.
What is the InChIKey of 2-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propanoic acid?
The InChIKey is GDMSCAPZCVMUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO4/c1-11(18(22)23)21-9-13-7-16(24-2)17(8-14(13)19)25-10-12-5-3-4-6-15(12)20/h3-8,11,21H,9-10H2,1-2H3,(H,22,23).
What are the key properties of 2-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propanoic acid?
2-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propanoic acid has a molecular weight of 367.80 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]propanoic acid is sourced from PubChem (CID 66529359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).