2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide

C18H13BrFN3O — CID 122262955

IUPAC2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2)ncn1)c1ccccc1Br
InChIInChI=1S/C18H13BrFN3O/c19-16-4-2-1-3-15(16)18(24)21-10-14-9-17(23-11-22-14)12-5-7-13(20)8-6-12/h1-9,11H,10H2,(H,21,24)
InChIKeyBHKRTURNKCRMDU-UHFFFAOYSA-N
MW386.22 g/mol
LogP3.98
Rot. Bonds4

About 2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide

2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide (PubChem CID 122262955) has the molecular formula C18H13BrFN3O and a molecular weight of 386.22 g/mol. Its IUPAC name is 2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide
PubChem CID122262955
Molecular FormulaC18H13BrFN3O
Molecular Weight386.22 g/mol
Exact Mass385.02
IUPAC Name2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide
SMILESO=C(NCc1cc(-c2ccc(F)cc2)ncn1)c1ccccc1Br
InChIInChI=1S/C18H13BrFN3O/c19-16-4-2-1-3-15(16)18(24)21-10-14-9-17(23-11-22-14)12-5-7-13(20)8-6-12/h1-9,11H,10H2,(H,21,24)
InChIKeyBHKRTURNKCRMDU-UHFFFAOYSA-N
XLogP3.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261961
2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261778
2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 122261802
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylpropanamide
CID 122262814
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]quinoxaline-6-carboxamide
CID 122263018
2-(2,4-difluorophenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122262058
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 122262877
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 122262928
(E)-3-(4-fluorophenyl)-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]prop-2-enamide
CID 122262836
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide
CID 122262795
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122263036
3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261935

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide?
The IUPAC name of 2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide (CID 122262955) is 2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide is O=C(NCc1cc(-c2ccc(F)cc2)ncn1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide?
The InChIKey is BHKRTURNKCRMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFN3O/c19-16-4-2-1-3-15(16)18(24)21-10-14-9-17(23-11-22-14)12-5-7-13(20)8-6-12/h1-9,11H,10H2,(H,21,24).
What are the key properties of 2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide?
2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide has a molecular weight of 386.22 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide is sourced from PubChem (CID 122262955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).