2-(4-fluorophenyl)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide

C18H18FN3O — CID 82252745

IUPAC2-(4-fluorophenyl)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cccc(C2=NCCCN2)c1
InChIInChI=1S/C18H18FN3O/c19-15-7-5-13(6-8-15)11-17(23)22-16-4-1-3-14(12-16)18-20-9-2-10-21-18/h1,3-8,12H,2,9-11H2,(H,20,21)(H,22,23)
InChIKeyGYXVBKWVCDVFPL-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.75
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide

2-(4-fluorophenyl)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide (PubChem CID 82252745) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide
PubChem CID82252745
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name2-(4-fluorophenyl)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cccc(C2=NCCCN2)c1
InChIInChI=1S/C18H18FN3O/c19-15-7-5-13(6-8-15)11-17(23)22-16-4-1-3-14(12-16)18-20-9-2-10-21-18/h1,3-8,12H,2,9-11H2,(H,20,21)(H,22,23)
InChIKeyGYXVBKWVCDVFPL-UHFFFAOYSA-N
XLogP2.75
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-3-[4-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]phenyl]urea;hydrochloride
CID 54612096
3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82240193
1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
CID 20563379
2,5-dichloro-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82252888
1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea
CID 66919843
3-(4,5-dihydro-1H-imidazol-2-yl)-N-(4-fluorophenyl)aniline
CID 175534747
N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]but-2-enediamide;dihydrochloride
CID 131880365
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3,4-difluorobenzamide
CID 82252406
2-(4-fluorophenyl)-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 35521872
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
2-(benzenesulfonamido)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82253133
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenoxybutanamide
CID 82240196

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide (CID 82252745) is 2-(4-fluorophenyl)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide is O=C(Cc1ccc(F)cc1)Nc1cccc(C2=NCCCN2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide?
The InChIKey is GYXVBKWVCDVFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c19-15-7-5-13(6-8-15)11-17(23)22-16-4-1-3-14(12-16)18-20-9-2-10-21-18/h1,3-8,12H,2,9-11H2,(H,20,21)(H,22,23).
What are the key properties of 2-(4-fluorophenyl)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide?
2-(4-fluorophenyl)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide has a molecular weight of 311.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]acetamide is sourced from PubChem (CID 82252745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).