4-chloro-2-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide

C19H18ClF2N3O — CID 146420204

IUPAC4-chloro-2-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
SMILESCN1CCC(=C(F)c2cccc(NC(=O)c3ccc(Cl)cc3F)n2)CC1
InChIInChI=1S/C19H18ClF2N3O/c1-25-9-7-12(8-10-25)18(22)16-3-2-4-17(23-16)24-19(26)14-6-5-13(20)11-15(14)21/h2-6,11H,7-10H2,1H3,(H,23,24,26)
InChIKeyTWNUOOXNMMOWRI-UHFFFAOYSA-N
MW377.82 g/mol
LogP4.53
Rot. Bonds3

About 4-chloro-2-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide

4-chloro-2-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide (PubChem CID 146420204) has the molecular formula C19H18ClF2N3O and a molecular weight of 377.82 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
PubChem CID146420204
Molecular FormulaC19H18ClF2N3O
Molecular Weight377.82 g/mol
Exact Mass377.11
IUPAC Name4-chloro-2-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide
SMILESCN1CCC(=C(F)c2cccc(NC(=O)c3ccc(Cl)cc3F)n2)CC1
InChIInChI=1S/C19H18ClF2N3O/c1-25-9-7-12(8-10-25)18(22)16-3-2-4-17(23-16)24-19(26)14-6-5-13(20)11-15(14)21/h2-6,11H,7-10H2,1H3,(H,23,24,26)
InChIKeyTWNUOOXNMMOWRI-UHFFFAOYSA-N
XLogP4.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide (CID 146420204) is 4-chloro-2-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide is CN1CCC(=C(F)c2cccc(NC(=O)c3ccc(Cl)cc3F)n2)CC1.
What is the InChIKey of 4-chloro-2-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide?
The InChIKey is TWNUOOXNMMOWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N3O/c1-25-9-7-12(8-10-25)18(22)16-3-2-4-17(23-16)24-19(26)14-6-5-13(20)11-15(14)21/h2-6,11H,7-10H2,1H3,(H,23,24,26).
What are the key properties of 4-chloro-2-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide?
4-chloro-2-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide has a molecular weight of 377.82 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 146420204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).