2-(2,4-dioxopyrimidin-1-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]acetamide

C19H16FN3O4 — CID 33272400

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C19H16FN3O4/c20-14-4-2-6-16(10-14)27-12-13-3-1-5-15(9-13)21-18(25)11-23-8-7-17(24)22-19(23)26/h1-10H,11-12H2,(H,21,25)(H,22,24,26)
InChIKeyCIFSSMFBIDQBPH-UHFFFAOYSA-N
MW369.35 g/mol
LogP1.89
Rot. Bonds6

About 2-(2,4-dioxopyrimidin-1-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]acetamide (PubChem CID 33272400) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]acetamide
PubChem CID33272400
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc(COc2cccc(F)c2)c1
InChIInChI=1S/C19H16FN3O4/c20-14-4-2-6-16(10-14)27-12-13-3-1-5-15(9-13)21-18(25)11-23-8-7-17(24)22-19(23)26/h1-10H,11-12H2,(H,21,25)(H,22,24,26)
InChIKeyCIFSSMFBIDQBPH-UHFFFAOYSA-N
XLogP1.89
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 60608009
N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 38613381
N-(3-carbamothioylphenyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 28945240
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide
CID 55761188
2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39953760
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-formylphenoxy)acetamide
CID 60513959
4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
CID 120560905
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869967
N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide
CID 16784462
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-[(3-fluorophenyl)methoxy]phenyl]butanamide
CID 52702153
N-[3-[(3-fluorophenoxy)methyl]phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56563395
N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 33271946

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]acetamide (CID 33272400) is 2-(2,4-dioxopyrimidin-1-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]acetamide is O=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc(COc2cccc(F)c2)c1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]acetamide?
The InChIKey is CIFSSMFBIDQBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4/c20-14-4-2-6-16(10-14)27-12-13-3-1-5-15(9-13)21-18(25)11-23-8-7-17(24)22-19(23)26/h1-10H,11-12H2,(H,21,25)(H,22,24,26).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]acetamide has a molecular weight of 369.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-[3-[(3-fluorophenoxy)methyl]phenyl]acetamide is sourced from PubChem (CID 33272400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).