N-(3-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyrimidine-4-carboxamide

C21H19FN4O2 — CID 109308262

IUPACN-(3-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(NCCc3ccccc3F)n2)c1
InChIInChI=1S/C21H19FN4O2/c1-14(27)16-6-4-7-17(13-16)25-20(28)19-10-12-24-21(26-19)23-11-9-15-5-2-3-8-18(15)22/h2-8,10,12-13H,9,11H2,1H3,(H,25,28)(H,23,24,26)
InChIKeyHOUJMFCFXAWJHJ-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.73
Rot. Bonds7

About N-(3-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyrimidine-4-carboxamide

N-(3-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109308262) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109308262
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-(3-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(NCCc3ccccc3F)n2)c1
InChIInChI=1S/C21H19FN4O2/c1-14(27)16-6-4-7-17(13-16)25-20(28)19-10-12-24-21(26-19)23-11-9-15-5-2-3-8-18(15)22/h2-8,10,12-13H,9,11H2,1H3,(H,25,28)(H,23,24,26)
InChIKeyHOUJMFCFXAWJHJ-UHFFFAOYSA-N
XLogP3.73
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-[(2-fluorophenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109305341
2-[2-(2-fluorophenyl)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295360
N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315553
N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
CID 109313448
2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161
N-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide
CID 109311253
2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300183
2-(3-acetylanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330783
N-[2-(2-fluorophenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296732
N-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305822
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308588
2-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109308221

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyrimidine-4-carboxamide (CID 109308262) is N-(3-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyrimidine-4-carboxamide is CC(=O)c1cccc(NC(=O)c2ccnc(NCCc3ccccc3F)n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is HOUJMFCFXAWJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-14(27)16-6-4-7-17(13-16)25-20(28)19-10-12-24-21(26-19)23-11-9-15-5-2-3-8-18(15)22/h2-8,10,12-13H,9,11H2,1H3,(H,25,28)(H,23,24,26).
What are the key properties of N-(3-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyrimidine-4-carboxamide?
N-(3-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109308262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).