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

C16H16FN3O2 — CID 718054

IUPAC4-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide
SMILESCc1cc(C)c(NC(=O)NC(=O)c2ccc(F)cc2)c(C)n1
InChIInChI=1S/C16H16FN3O2/c1-9-8-10(2)18-11(3)14(9)19-16(22)20-15(21)12-4-6-13(17)7-5-12/h4-8H,1-3H3,(H2,19,20,21,22)
InChIKeyZMNCIXUPBVRFKC-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.11
Rot. Bonds2

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

4-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide (PubChem CID 718054) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide
PubChem CID718054
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name4-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide
SMILESCc1cc(C)c(NC(=O)NC(=O)c2ccc(F)cc2)c(C)n1
InChIInChI=1S/C16H16FN3O2/c1-9-8-10(2)18-11(3)14(9)19-16(22)20-15(21)12-4-6-13(17)7-5-12/h4-8H,1-3H3,(H2,19,20,21,22)
InChIKeyZMNCIXUPBVRFKC-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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide?
The IUPAC name of 4-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide (CID 718054) is 4-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide is Cc1cc(C)c(NC(=O)NC(=O)c2ccc(F)cc2)c(C)n1.
What is the InChIKey of 4-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide?
The InChIKey is ZMNCIXUPBVRFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-9-8-10(2)18-11(3)14(9)19-16(22)20-15(21)12-4-6-13(17)7-5-12/h4-8H,1-3H3,(H2,19,20,21,22).
What are the key properties of 4-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide?
4-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 4-fluoro-N-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzamide is sourced from PubChem (CID 718054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).