3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide

C18H13F2N3O — CID 121165286

IUPAC3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccnc(-c2ccncc2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H13F2N3O/c19-15-2-1-14(10-16(15)20)18(24)23-11-12-3-8-22-17(9-12)13-4-6-21-7-5-13/h1-10H,11H2,(H,23,24)
InChIKeyUHBZICZZAPBZEV-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.35
Rot. Bonds4

About 3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide

3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide (PubChem CID 121165286) has the molecular formula C18H13F2N3O and a molecular weight of 325.32 g/mol. Its IUPAC name is 3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
PubChem CID121165286
Molecular FormulaC18H13F2N3O
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccnc(-c2ccncc2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H13F2N3O/c19-15-2-1-14(10-16(15)20)18(24)23-11-12-3-8-22-17(9-12)13-4-6-21-7-5-13/h1-10H,11H2,(H,23,24)
InChIKeyUHBZICZZAPBZEV-UHFFFAOYSA-N
XLogP3.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-pyridin-4-yl-4-pyridinyl)methyl]furan-3-carboxamide
CID 121018130
4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165392
3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121018137
2-ethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 121165391
1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea
CID 121165562
2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165448
2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165301
3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165402
2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 121165300
methyl 2-[(2-pyridin-4-yl-4-pyridinyl)methylcarbamoyl]benzoate
CID 121165433
N-benzyl-3,4-difluorobenzamide
CID 1294460
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide (CID 121165286) is 3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide is O=C(NCc1ccnc(-c2ccncc2)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide?
The InChIKey is UHBZICZZAPBZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O/c19-15-2-1-14(10-16(15)20)18(24)23-11-12-3-8-22-17(9-12)13-4-6-21-7-5-13/h1-10H,11H2,(H,23,24).
What are the key properties of 3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide?
3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide has a molecular weight of 325.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 121165286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).