2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid

C19H20FNO6 — CID 120976580

IUPAC2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid
SMILESCOc1cc(CN(CC(=O)O)C(=O)c2cc(F)ccc2OC)cc(OC)c1
InChIInChI=1S/C19H20FNO6/c1-25-14-6-12(7-15(9-14)26-2)10-21(11-18(22)23)19(24)16-8-13(20)4-5-17(16)27-3/h4-9H,10-11H2,1-3H3,(H,22,23)
InChIKeyOALXQHOWWDWAKN-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.58
Rot. Bonds8

About 2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid

2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid (PubChem CID 120976580) has the molecular formula C19H20FNO6 and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid
PubChem CID120976580
Molecular FormulaC19H20FNO6
Molecular Weight377.37 g/mol
Exact Mass377.13
IUPAC Name2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid
SMILESCOc1cc(CN(CC(=O)O)C(=O)c2cc(F)ccc2OC)cc(OC)c1
InChIInChI=1S/C19H20FNO6/c1-25-14-6-12(7-15(9-14)26-2)10-21(11-18(22)23)19(24)16-8-13(20)4-5-17(16)27-3/h4-9H,10-11H2,1-3H3,(H,22,23)
InChIKeyOALXQHOWWDWAKN-UHFFFAOYSA-N
XLogP2.58
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethoxyphenyl)methyl-(4-fluoro-2-methylbenzoyl)amino]acetic acid
CID 120518096
2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197682
2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid
CID 120518082
2-[(5-chlorothiophene-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197465
2-[(3,5-dimethoxyphenyl)methyl-(furan-3-carbonyl)amino]acetic acid
CID 119197732
2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 120518105
2-[(2-methoxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61008916
2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
CID 119197706
N-ethyl-5-fluoro-2-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 112817404
2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid
CID 119197506
2-[benzyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62051933
2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
CID 119197685

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid (CID 120976580) is 2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid is COc1cc(CN(CC(=O)O)C(=O)c2cc(F)ccc2OC)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid?
The InChIKey is OALXQHOWWDWAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO6/c1-25-14-6-12(7-15(9-14)26-2)10-21(11-18(22)23)19(24)16-8-13(20)4-5-17(16)27-3/h4-9H,10-11H2,1-3H3,(H,22,23).
What are the key properties of 2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid?
2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid has a molecular weight of 377.37 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid is sourced from PubChem (CID 120976580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).