2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide

C25H19N5O4 — CID 55527065

IUPAC2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
SMILESO=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H19N5O4/c31-21(14-30-15-26-22-19-8-4-5-9-20(19)34-23(22)24(30)32)27-17-10-12-18(13-11-17)29-25(33)28-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,27,31)(H2,28,29,33)
InChIKeyIPACPMRWXFZSRW-UHFFFAOYSA-N
MW453.46 g/mol
LogP4.43
Rot. Bonds5

About 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide

2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide (PubChem CID 55527065) has the molecular formula C25H19N5O4 and a molecular weight of 453.46 g/mol. Its IUPAC name is 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
PubChem CID55527065
Molecular FormulaC25H19N5O4
Molecular Weight453.46 g/mol
Exact Mass453.14
IUPAC Name2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
SMILESO=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H19N5O4/c31-21(14-30-15-26-22-19-8-4-5-9-20(19)34-23(22)24(30)32)27-17-10-12-18(13-11-17)29-25(33)28-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,27,31)(H2,28,29,33)
InChIKeyIPACPMRWXFZSRW-UHFFFAOYSA-N
XLogP4.43
TPSA118.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[4-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]phenyl]butanamide
CID 34597443
N-[4-(azepan-1-yl)phenyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26817386
N-naphthalen-1-yl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808260
N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 31806064
N-(2-bromophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7802170
N-(2-chlorophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7802162
N-(5-chloro-2-pyridinyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 51250651
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 46439880
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 55457834
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 4808372
2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide
CID 17423737
N-(4-iodo-2-methylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808279

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide (CID 55527065) is 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide is O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
The InChIKey is IPACPMRWXFZSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O4/c31-21(14-30-15-26-22-19-8-4-5-9-20(19)34-23(22)24(30)32)27-17-10-12-18(13-11-17)29-25(33)28-16-6-2-1-3-7-16/h1-13,15H,14H2,(H,27,31)(H2,28,29,33).
What are the key properties of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide?
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide has a molecular weight of 453.46 g/mol, XLogP of 4.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 55527065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).