2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid

C19H20FNO4 — CID 119243277

IUPAC2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
SMILESCOc1ccc(F)cc1C(=O)NCC(Cc1cccc(C)c1)C(=O)O
InChIInChI=1S/C19H20FNO4/c1-12-4-3-5-13(8-12)9-14(19(23)24)11-21-18(22)16-10-15(20)6-7-17(16)25-2/h3-8,10,14H,9,11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyIEUUKRJXGHQKEG-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.82
Rot. Bonds7

About 2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid

2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid (PubChem CID 119243277) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
PubChem CID119243277
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
SMILESCOc1ccc(F)cc1C(=O)NCC(Cc1cccc(C)c1)C(=O)O
InChIInChI=1S/C19H20FNO4/c1-12-4-3-5-13(8-12)9-14(19(23)24)11-21-18(22)16-10-15(20)6-7-17(16)25-2/h3-8,10,14H,9,11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyIEUUKRJXGHQKEG-UHFFFAOYSA-N
XLogP2.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-methoxy-5-nitrobenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119242856
2-[[(4-methoxy-3-nitrobenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243335
2-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243155
2-[[(5-acetamido-2-fluorobenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 120526764
2-[[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]methyl]butanoic acid
CID 20777225
methyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoate;hydrochloride
CID 119778002
2-[[(1,5-dimethylpyrrole-2-carbonyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243123
(2R)-2-[(3-methylphenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 25417736
2-benzyl-3-[(2,4-dimethylbenzoyl)amino]propanoic acid
CID 119233647
5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methoxybenzamide
CID 110888727
2-[[[3-(difluoromethoxy)benzoyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119242795
2-[[[3-(methylcarbamoyl)benzoyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 120526712

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid?
The IUPAC name of 2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid (CID 119243277) is 2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid.
What is the SMILES notation for 2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid?
The canonical SMILES for 2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid is COc1ccc(F)cc1C(=O)NCC(Cc1cccc(C)c1)C(=O)O.
What is the InChIKey of 2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid?
The InChIKey is IEUUKRJXGHQKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-12-4-3-5-13(8-12)9-14(19(23)24)11-21-18(22)16-10-15(20)6-7-17(16)25-2/h3-8,10,14H,9,11H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid?
2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid has a molecular weight of 345.37 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 119243277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).