2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide

C28H23F2N5O4 — CID 25195743

IUPAC2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(-c2c(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)ccnc2N)cc1
InChIInChI=1S/C28H23F2N5O4/c29-19-7-3-17(4-8-19)14-25(37)35-28(38)34-20-9-10-22(21(30)15-20)39-23-11-12-33-27(32)26(23)18-5-1-16(2-6-18)13-24(31)36/h1-12,15H,13-14H2,(H2,31,36)(H2,32,33)(H2,34,35,37,38)
InChIKeyVULAQKCGYIFKBN-UHFFFAOYSA-N
MW531.52 g/mol
LogP4.32
Rot. Bonds8

About 2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide

2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide (PubChem CID 25195743) has the molecular formula C28H23F2N5O4 and a molecular weight of 531.52 g/mol. Its IUPAC name is 2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide
PubChem CID25195743
Molecular FormulaC28H23F2N5O4
Molecular Weight531.52 g/mol
Exact Mass531.17
IUPAC Name2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(-c2c(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)ccnc2N)cc1
InChIInChI=1S/C28H23F2N5O4/c29-19-7-3-17(4-8-19)14-25(37)35-28(38)34-20-9-10-22(21(30)15-20)39-23-11-12-33-27(32)26(23)18-5-1-16(2-6-18)13-24(31)36/h1-12,15H,13-14H2,(H2,31,36)(H2,32,33)(H2,34,35,37,38)
InChIKeyVULAQKCGYIFKBN-UHFFFAOYSA-N
XLogP4.32
TPSA149.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.52
LogP ≤ 54.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide with MolForge

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Related Compounds

N-[[3-fluoro-4-[[3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 21081474
2-(4-fluorophenyl)-N-[[3-fluoro-4-[(3-pyridin-2-yl-4-pyridinyl)oxy]phenyl]carbamoyl]acetamide
CID 70791054
tert-butyl N-[3-ethyl-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate
CID 59852914
N-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide
CID 11589321
2-[4-[2-amino-4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]phenyl]acetic acid
CID 59852905
N-[4-[(2-amino-3-ethenyl-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-chlorophenyl)acetamide
CID 143062235
N-[[3-fluoro-4-[6-methoxy-7-(4-piperidin-1-ylbutoxy)quinolin-4-yl]oxyphenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 59791979
2-(4-fluorophenyl)-N-[[3-fluoro-4-[[3-[3-[(2-pyrrolidin-1-ylacetyl)amino]prop-1-ynyl]-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide;dihydrochloride
CID 25197195
N-[[3-fluoro-4-[7-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 58249343
2-(4-fluorophenyl)-N-[[3-fluoro-4-(6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)oxyphenyl]carbamoyl]acetamide;2,2,2-trifluoroacetic acid
CID 172690121
N-[[3-fluoro-4-[7-(2-hydroxy-3-morpholin-4-ylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]carbamoyl]-2-(4-methylphenyl)acetamide
CID 58249416
N-[[4-(6-chloropyrimidin-4-yl)oxy-3-fluorophenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide
CID 11553844

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide?
The IUPAC name of 2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide (CID 25195743) is 2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide?
The canonical SMILES for 2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide is NC(=O)Cc1ccc(-c2c(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)ccnc2N)cc1.
What is the InChIKey of 2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide?
The InChIKey is VULAQKCGYIFKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2N5O4/c29-19-7-3-17(4-8-19)14-25(37)35-28(38)34-20-9-10-22(21(30)15-20)39-23-11-12-33-27(32)26(23)18-5-1-16(2-6-18)13-24(31)36/h1-12,15H,13-14H2,(H2,31,36)(H2,32,33)(H2,34,35,37,38).
What are the key properties of 2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide?
2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide has a molecular weight of 531.52 g/mol, XLogP of 4.32, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-3-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 25195743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).