4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide

C12H10FN3O — CID 115745693

IUPAC4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1ncccn1
InChIInChI=1S/C12H10FN3O/c1-8-7-9(13)3-4-10(8)11(17)16-12-14-5-2-6-15-12/h2-7H,1H3,(H,14,15,16,17)
InChIKeyYIUATBRUUORQRN-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.18
Rot. Bonds2

About 4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide

4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide (PubChem CID 115745693) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide
PubChem CID115745693
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1ncccn1
InChIInChI=1S/C12H10FN3O/c1-8-7-9(13)3-4-10(8)11(17)16-12-14-5-2-6-15-12/h2-7H,1H3,(H,14,15,16,17)
InChIKeyYIUATBRUUORQRN-UHFFFAOYSA-N
XLogP2.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114387340
4-hydroxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 103872165
2,4,5-trimethyl-N-pyrimidin-2-ylbenzamide
CID 110763140
4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
CID 115745134
4-fluoro-N-pyrimidin-2-ylbenzamide
CID 797393
4-fluoro-2-methyl-N-(2-propan-2-yloxy-3-pyridinyl)benzamide
CID 115745724
4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 113268641
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 115745629
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
N-(2-carbamoylphenyl)-4-fluoro-2-methylbenzamide
CID 115745249
N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 113219145

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide?
The IUPAC name of 4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide (CID 115745693) is 4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide is Cc1cc(F)ccc1C(=O)Nc1ncccn1.
What is the InChIKey of 4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide?
The InChIKey is YIUATBRUUORQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c1-8-7-9(13)3-4-10(8)11(17)16-12-14-5-2-6-15-12/h2-7H,1H3,(H,14,15,16,17).
What are the key properties of 4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide?
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide has a molecular weight of 231.23 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 115745693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).