2-[(1S)-2,2-difluorocyclopropyl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide

C12H14F2N2O — CID 125437913

IUPAC2-[(1S)-2,2-difluorocyclopropyl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide
SMILESCc1ccnc(CNC(=O)C[C@H]2CC2(F)F)c1
InChIInChI=1S/C12H14F2N2O/c1-8-2-3-15-10(4-8)7-16-11(17)5-9-6-12(9,13)14/h2-4,9H,5-7H2,1H3,(H,16,17)/t9-/m0/s1
InChIKeyNQAVCRGBQIKLQL-VIFPVBQESA-N
MW240.25 g/mol
LogP2.05
Rot. Bonds4

About 2-[(1S)-2,2-difluorocyclopropyl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide

2-[(1S)-2,2-difluorocyclopropyl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide (PubChem CID 125437913) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-[(1S)-2,2-difluorocyclopropyl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-2,2-difluorocyclopropyl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide
PubChem CID125437913
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name2-[(1S)-2,2-difluorocyclopropyl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide
SMILESCc1ccnc(CNC(=O)C[C@H]2CC2(F)F)c1
InChIInChI=1S/C12H14F2N2O/c1-8-2-3-15-10(4-8)7-16-11(17)5-9-6-12(9,13)14/h2-4,9H,5-7H2,1H3,(H,16,17)/t9-/m0/s1
InChIKeyNQAVCRGBQIKLQL-VIFPVBQESA-N
XLogP2.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,2-difluorocyclopropyl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[(1S)-2,2-difluorocyclopropyl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide (CID 125437913) is 2-[(1S)-2,2-difluorocyclopropyl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[(1S)-2,2-difluorocyclopropyl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[(1S)-2,2-difluorocyclopropyl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide is Cc1ccnc(CNC(=O)C[C@H]2CC2(F)F)c1.
What is the InChIKey of 2-[(1S)-2,2-difluorocyclopropyl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide?
The InChIKey is NQAVCRGBQIKLQL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-8-2-3-15-10(4-8)7-16-11(17)5-9-6-12(9,13)14/h2-4,9H,5-7H2,1H3,(H,16,17)/t9-/m0/s1.
What are the key properties of 2-[(1S)-2,2-difluorocyclopropyl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide?
2-[(1S)-2,2-difluorocyclopropyl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide has a molecular weight of 240.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,2-difluorocyclopropyl]-N-[(4-methyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 125437913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).