3-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide

C16H16FN3O2 — CID 718560

IUPAC3-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide
SMILESCc1cc(C)c(NC(=O)NC(=O)c2cccc(F)c2)c(C)n1
InChIInChI=1S/C16H16FN3O2/c1-9-7-10(2)18-11(3)14(9)19-16(22)20-15(21)12-5-4-6-13(17)8-12/h4-8H,1-3H3,(H2,19,20,21,22)
InChIKeyPTGQOHABDMGMEL-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.11
Rot. Bonds2

About 3-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide

3-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide (PubChem CID 718560) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 3-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide
PubChem CID718560
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name3-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide
SMILESCc1cc(C)c(NC(=O)NC(=O)c2cccc(F)c2)c(C)n1
InChIInChI=1S/C16H16FN3O2/c1-9-7-10(2)18-11(3)14(9)19-16(22)20-15(21)12-5-4-6-13(17)8-12/h4-8H,1-3H3,(H2,19,20,21,22)
InChIKeyPTGQOHABDMGMEL-UHFFFAOYSA-N
XLogP3.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[oxo-[(2,4,6-trimethyl-3-pyridinyl)amino]methyl]benzamide
CID 1503254
N-[[(6-methyl-2-pyridinyl)amino]-oxomethyl]benzamide
CID 5093257
N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 124524
2-Fluoranyl-~{n}-[2-(4-Fluorophenyl)-6-Methyl-Pyridin-3-Yl]-4-(Trifluoromethyl)benzamide
CID 123131777
4-fluoro-N-[(2,4,6-trimethylpyridin-3-yl)carbamoyl]benzamide
CID 718054
N2,N6-Bis(2-methylphenyl)-2,6-pyridinedicarboxamide
CID 766586
N~2~,N~6~-bis(3-methylphenyl)-2,6-pyridinedicarboxamide
CID 790215
3-Fluoro-N-(6-isobutyrylamino-pyridin-3-yl)-benzamide
CID 644504
N-(6-Butyrylamino-pyridin-3-yl)-3-fluoro-benzamide
CID 644579
3-Fluoro-N-(4-methyl-5-propionylamino-pyridin-2-yl)-benzamide
CID 644584
N-(5-Acetylamino-4-methyl-pyridin-2-yl)-3-fluoro-benzamide
CID 646831
N-(5-Butyrylamino-4-methyl-pyridin-2-yl)-3-fluoro-benzamide
CID 647981

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide?
The IUPAC name of 3-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide (CID 718560) is 3-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide is Cc1cc(C)c(NC(=O)NC(=O)c2cccc(F)c2)c(C)n1.
What is the InChIKey of 3-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide?
The InChIKey is PTGQOHABDMGMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-9-7-10(2)18-11(3)14(9)19-16(22)20-15(21)12-5-4-6-13(17)8-12/h4-8H,1-3H3,(H2,19,20,21,22).
What are the key properties of 3-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide?
3-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide has a molecular weight of 301.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide is sourced from PubChem (CID 718560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).