2-[5-[[3-fluoro-4-(3-methoxyphenyl)benzoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid

C26H20FN3O5 — CID 175993533

IUPAC2-[5-[[3-fluoro-4-(3-methoxyphenyl)benzoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
SMILESCOc1cccc(-c2ccc(C(=O)Nc3cnc(-c4ccccc4)n(CC(=O)O)c3=O)cc2F)c1
InChIInChI=1S/C26H20FN3O5/c1-35-19-9-5-8-17(12-19)20-11-10-18(13-21(20)27)25(33)29-22-14-28-24(16-6-3-2-4-7-16)30(26(22)34)15-23(31)32/h2-14H,15H2,1H3,(H,29,33)(H,31,32)
InChIKeyZHKQEJXSDQEJSW-UHFFFAOYSA-N
MW473.46 g/mol
LogP4.06
Rot. Bonds7

About 2-[5-[[3-fluoro-4-(3-methoxyphenyl)benzoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid

2-[5-[[3-fluoro-4-(3-methoxyphenyl)benzoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid (PubChem CID 175993533) has the molecular formula C26H20FN3O5 and a molecular weight of 473.46 g/mol. Its IUPAC name is 2-[5-[[3-fluoro-4-(3-methoxyphenyl)benzoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[3-fluoro-4-(3-methoxyphenyl)benzoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
PubChem CID175993533
Molecular FormulaC26H20FN3O5
Molecular Weight473.46 g/mol
Exact Mass473.14
IUPAC Name2-[5-[[3-fluoro-4-(3-methoxyphenyl)benzoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
SMILESCOc1cccc(-c2ccc(C(=O)Nc3cnc(-c4ccccc4)n(CC(=O)O)c3=O)cc2F)c1
InChIInChI=1S/C26H20FN3O5/c1-35-19-9-5-8-17(12-19)20-11-10-18(13-21(20)27)25(33)29-22-14-28-24(16-6-3-2-4-7-16)30(26(22)34)15-23(31)32/h2-14H,15H2,1H3,(H,29,33)(H,31,32)
InChIKeyZHKQEJXSDQEJSW-UHFFFAOYSA-N
XLogP4.06
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-[[3-fluoro-4-(3-methoxyphenyl)benzoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid
CID 10293083
N-[1-ethyl-2-(4-methoxyphenyl)-6-oxopyrimidin-5-yl]benzamide
CID 142150656
methyl 3-fluoro-4-(3-methoxyphenyl)benzoate
CID 75488340
3-methoxy-N-(4-methyl-2-phenylphenyl)benzamide
CID 110441633
3-(2-oxopropyl)-2-phenyl-5-(3-phenylanilino)pyrimidin-4-one
CID 170789543
3-fluoro-N-(3-methoxyphenyl)-4-(3-methoxy-2-pyridinyl)benzamide
CID 59673094
tert-butyl 2-[5-[3-(4-methoxyphenyl)propylamino]-6-oxo-2-phenylpyrimidin-1-yl]acetate
CID 170789760
ethyl 5-benzamido-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-2-carboxylate
CID 102333626
3,4-difluoro-N-[2-[[3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]benzamide
CID 42109267
3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid
CID 176508636
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
2-[[2-(5-acetamido-6-oxo-2-phenylpyrimidin-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 23139554

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[3-fluoro-4-(3-methoxyphenyl)benzoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid?
The IUPAC name of 2-[5-[[3-fluoro-4-(3-methoxyphenyl)benzoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid (CID 175993533) is 2-[5-[[3-fluoro-4-(3-methoxyphenyl)benzoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[[3-fluoro-4-(3-methoxyphenyl)benzoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid?
The canonical SMILES for 2-[5-[[3-fluoro-4-(3-methoxyphenyl)benzoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid is COc1cccc(-c2ccc(C(=O)Nc3cnc(-c4ccccc4)n(CC(=O)O)c3=O)cc2F)c1.
What is the InChIKey of 2-[5-[[3-fluoro-4-(3-methoxyphenyl)benzoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid?
The InChIKey is ZHKQEJXSDQEJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O5/c1-35-19-9-5-8-17(12-19)20-11-10-18(13-21(20)27)25(33)29-22-14-28-24(16-6-3-2-4-7-16)30(26(22)34)15-23(31)32/h2-14H,15H2,1H3,(H,29,33)(H,31,32).
What are the key properties of 2-[5-[[3-fluoro-4-(3-methoxyphenyl)benzoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid?
2-[5-[[3-fluoro-4-(3-methoxyphenyl)benzoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid has a molecular weight of 473.46 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[3-fluoro-4-(3-methoxyphenyl)benzoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid is sourced from PubChem (CID 175993533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).