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

C23H24FN3O3 — CID 136891459

IUPACN-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N[C@@H](Cc1cc(=O)[nH]c(C(C)C)n1)c1ccc(F)cc1
InChIInChI=1S/C23H24FN3O3/c1-14(2)22-25-17(13-21(28)27-22)12-19(15-8-10-16(24)11-9-15)26-23(29)18-6-4-5-7-20(18)30-3/h4-11,13-14,19H,12H2,1-3H3,(H,26,29)(H,25,27,28)/t19-/m0/s1
InChIKeyPQHDVDJCZSBTBJ-IBGZPJMESA-N
MW409.46 g/mol
LogP3.75
Rot. Bonds7

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

N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-methoxybenzamide (PubChem CID 136891459) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-methoxybenzamide
PubChem CID136891459
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N[C@@H](Cc1cc(=O)[nH]c(C(C)C)n1)c1ccc(F)cc1
InChIInChI=1S/C23H24FN3O3/c1-14(2)22-25-17(13-21(28)27-22)12-19(15-8-10-16(24)11-9-15)26-23(29)18-6-4-5-7-20(18)30-3/h4-11,13-14,19H,12H2,1-3H3,(H,26,29)(H,25,27,28)/t19-/m0/s1
InChIKeyPQHDVDJCZSBTBJ-IBGZPJMESA-N
XLogP3.75
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136891448
2-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136891447
2-(3-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136891445
N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-pyridin-2-ylacetamide
CID 136891450
3-ethyl-N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 136734955
2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide
CID 136816308
3-tert-butyl-1-methyl-N-[(1S)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]pyrazole-5-carboxamide
CID 136891480
3-tert-butyl-1-methyl-N-[2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1-phenylethyl]pyrazole-5-carboxamide
CID 136816373
N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-2-carboxamide
CID 136816281
N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]isoquinoline-1-carboxamide
CID 136816284
N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 136816288
N-[(1R)-1-(4-fluorophenyl)-2-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 136735471

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-methoxybenzamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-methoxybenzamide (CID 136891459) is N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)N[C@@H](Cc1cc(=O)[nH]c(C(C)C)n1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-methoxybenzamide?
The InChIKey is PQHDVDJCZSBTBJ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-14(2)22-25-17(13-21(28)27-22)12-19(15-8-10-16(24)11-9-15)26-23(29)18-6-4-5-7-20(18)30-3/h4-11,13-14,19H,12H2,1-3H3,(H,26,29)(H,25,27,28)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-methoxybenzamide?
N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-methoxybenzamide has a molecular weight of 409.46 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)-2-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 136891459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).