N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-fluorobenzamide

C15H14FN3O — CID 122263742

IUPACN-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-fluorobenzamide
SMILESO=C(NCc1cc(C2CC2)ncn1)c1ccccc1F
InChIInChI=1S/C15H14FN3O/c16-13-4-2-1-3-12(13)15(20)17-8-11-7-14(10-5-6-10)19-9-18-11/h1-4,7,9-10H,5-6,8H2,(H,17,20)
InChIKeyGWIFOJMTQOBWKD-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.42
Rot. Bonds4

About N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-fluorobenzamide

N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-fluorobenzamide (PubChem CID 122263742) has the molecular formula C15H14FN3O and a molecular weight of 271.29 g/mol. Its IUPAC name is N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-fluorobenzamide
PubChem CID122263742
Molecular FormulaC15H14FN3O
Molecular Weight271.29 g/mol
Exact Mass271.11
IUPAC NameN-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-fluorobenzamide
SMILESO=C(NCc1cc(C2CC2)ncn1)c1ccccc1F
InChIInChI=1S/C15H14FN3O/c16-13-4-2-1-3-12(13)15(20)17-8-11-7-14(10-5-6-10)19-9-18-11/h1-4,7,9-10H,5-6,8H2,(H,17,20)
InChIKeyGWIFOJMTQOBWKD-UHFFFAOYSA-N
XLogP2.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-cyclopropylpyrimidin-4-yl)methyl]-3,4-difluorobenzamide
CID 122263855
4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide
CID 122263921
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 122263824
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 122263899
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-4-propylthiadiazole-5-carboxamide
CID 122263908
2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261961
1-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(2-ethylphenyl)urea
CID 122264075
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-naphthalen-1-yloxyacetamide
CID 122263826
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide
CID 72718411
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122263898
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 122264045
2-bromo-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262955

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-fluorobenzamide?
The IUPAC name of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-fluorobenzamide (CID 122263742) is N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-fluorobenzamide.
What is the SMILES notation for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-fluorobenzamide?
The canonical SMILES for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-fluorobenzamide is O=C(NCc1cc(C2CC2)ncn1)c1ccccc1F.
What is the InChIKey of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-fluorobenzamide?
The InChIKey is GWIFOJMTQOBWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c16-13-4-2-1-3-12(13)15(20)17-8-11-7-14(10-5-6-10)19-9-18-11/h1-4,7,9-10H,5-6,8H2,(H,17,20).
What are the key properties of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-fluorobenzamide?
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-fluorobenzamide has a molecular weight of 271.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 122263742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).