4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide

C15H12F4N2O — CID 166012096

IUPAC4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccncc1CNC(=O)c1cc(F)c(C(F)F)c(F)c1
InChIInChI=1S/C15H12F4N2O/c1-8-2-3-20-6-10(8)7-21-15(22)9-4-11(16)13(14(18)19)12(17)5-9/h2-6,14H,7H2,1H3,(H,21,22)
InChIKeyLPNSMFUWUAQFJE-UHFFFAOYSA-N
MW312.27 g/mol
LogP3.54
Rot. Bonds4

About 4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide

4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide (PubChem CID 166012096) has the molecular formula C15H12F4N2O and a molecular weight of 312.27 g/mol. Its IUPAC name is 4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
PubChem CID166012096
Molecular FormulaC15H12F4N2O
Molecular Weight312.27 g/mol
Exact Mass312.09
IUPAC Name4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccncc1CNC(=O)c1cc(F)c(C(F)F)c(F)c1
InChIInChI=1S/C15H12F4N2O/c1-8-2-3-20-6-10(8)7-21-15(22)9-4-11(16)13(14(18)19)12(17)5-9/h2-6,14H,7H2,1H3,(H,21,22)
InChIKeyLPNSMFUWUAQFJE-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-4-hydrazinyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114957550
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
4-[(4-methyl-3-pyridinyl)methylcarbamoyl]benzoic acid
CID 114957277
3-amino-4-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954315
5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954363
2-bromo-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114037435
3-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954387
2-(ethylamino)-6-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114957522
2-fluoro-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 102882143
2-amino-3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114955918
2,3-difluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105381682
5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107377156

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide (CID 166012096) is 4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide is Cc1ccncc1CNC(=O)c1cc(F)c(C(F)F)c(F)c1.
What is the InChIKey of 4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide?
The InChIKey is LPNSMFUWUAQFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O/c1-8-2-3-20-6-10(8)7-21-15(22)9-4-11(16)13(14(18)19)12(17)5-9/h2-6,14H,7H2,1H3,(H,21,22).
What are the key properties of 4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide?
4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide has a molecular weight of 312.27 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 166012096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).