N-[1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-(4-methylphenyl)acetamide

C24H26FN3O2 — CID 136816360

IUPACN-[1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC(Cc2cc(=O)[nH]c(C(C)C)n2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H26FN3O2/c1-15(2)24-26-20(14-23(30)28-24)13-21(18-8-10-19(25)11-9-18)27-22(29)12-17-6-4-16(3)5-7-17/h4-11,14-15,21H,12-13H2,1-3H3,(H,27,29)(H,26,28,30)
InChIKeyPQXJWZLVPOKFFK-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.98
Rot. Bonds7

About N-[1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-(4-methylphenyl)acetamide

N-[1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-(4-methylphenyl)acetamide (PubChem CID 136816360) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-(4-methylphenyl)acetamide
PubChem CID136816360
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC NameN-[1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC(Cc2cc(=O)[nH]c(C(C)C)n2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H26FN3O2/c1-15(2)24-26-20(14-23(30)28-24)13-21(18-8-10-19(25)11-9-18)27-22(29)12-17-6-4-16(3)5-7-17/h4-11,14-15,21H,12-13H2,1-3H3,(H,27,29)(H,26,28,30)
InChIKeyPQXJWZLVPOKFFK-UHFFFAOYSA-N
XLogP3.98
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-(4-methylphenyl)acetamide 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

(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-4-methyl-N-(1-methyl-6-oxo-2-phenylpyrimidin-5-yl)pentanamide
CID 44344798
N-[bis(4-methylphenyl)methyl]-6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxamide
CID 155464236
2-[6-Benzyl-4-oxo-2-(propan-2-YL)-3H,4H,5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-3-YL]-N-[(4-fluorophenyl)methyl]acetamide
CID 53143482
2-[6-Benzyl-4-oxo-2-(propan-2-YL)-3H,4H,5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-3-YL]-N-[(2-fluorophenyl)methyl]acetamide
CID 53143487
6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(1-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122174706
6-[4-(tert-butyl)benzoyl]-2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 135622573
N-[1-(4-methylphenyl)propyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135899752
N-[2-(6-Hydroxy-2-methylpyrimidin-4-YL)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 136083860
2-(dimethylamino)-N-[2-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)ethyl]-2-(4-methylphenyl)acetamide
CID 136216757
2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)ethyl]acetamide
CID 136216801
2-(dimethylamino)-N-[2-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)ethyl]-2-(3-methylphenyl)acetamide
CID 136216817
N-[(1S)-1-(3-fluorophenyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 136241617

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-(4-methylphenyl)acetamide (CID 136816360) is N-[1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NC(Cc2cc(=O)[nH]c(C(C)C)n2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-(4-methylphenyl)acetamide?
The InChIKey is PQXJWZLVPOKFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-15(2)24-26-20(14-23(30)28-24)13-21(18-8-10-19(25)11-9-18)27-22(29)12-17-6-4-16(3)5-7-17/h4-11,14-15,21H,12-13H2,1-3H3,(H,27,29)(H,26,28,30).
What are the key properties of N-[1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-(4-methylphenyl)acetamide?
N-[1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-(4-methylphenyl)acetamide has a molecular weight of 407.49 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 136816360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).