2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide

C24H18ClN3O3 — CID 92648971

IUPAC2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide
SMILESO=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C24H18ClN3O3/c25-18-12-10-16(11-13-18)23-26-15-17(24(30)28-23)14-22(29)27-20-8-4-5-9-21(20)31-19-6-2-1-3-7-19/h1-13,15H,14H2,(H,27,29)(H,26,28,30)
InChIKeyKBELWJZURNITCY-UHFFFAOYSA-N
MW431.88 g/mol
LogP5.06
Rot. Bonds6

About 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide

2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide (PubChem CID 92648971) has the molecular formula C24H18ClN3O3 and a molecular weight of 431.88 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide
PubChem CID92648971
Molecular FormulaC24H18ClN3O3
Molecular Weight431.88 g/mol
Exact Mass431.10
IUPAC Name2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide
SMILESO=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C24H18ClN3O3/c25-18-12-10-16(11-13-18)23-26-15-17(24(30)28-23)14-22(29)27-20-8-4-5-9-21(20)31-19-6-2-1-3-7-19/h1-13,15H,14H2,(H,27,29)(H,26,28,30)
InChIKeyKBELWJZURNITCY-UHFFFAOYSA-N
XLogP5.06
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.88
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 92649000
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 92648849
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide
CID 92648967
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92648857
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
2-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)acetamide
CID 108998186
3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide
CID 109021922
2-(4-chlorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 7925670
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2-phenoxyphenyl)acetamide
CID 7700764
2-(1,3-oxazol-4-yl)-N-(2-phenoxyphenyl)acetamide
CID 110686412
2-[(2-fluorophenyl)methylamino]-N-(2-phenoxyphenyl)acetamide
CID 108997601
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one
CID 92648935

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide (CID 92648971) is 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide is O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide?
The InChIKey is KBELWJZURNITCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O3/c25-18-12-10-16(11-13-18)23-26-15-17(24(30)28-23)14-22(29)27-20-8-4-5-9-21(20)31-19-6-2-1-3-7-19/h1-13,15H,14H2,(H,27,29)(H,26,28,30).
What are the key properties of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide?
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide has a molecular weight of 431.88 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 92648971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).