N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide

C14H11F3N2O2 — CID 107358541

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)c1cccnc1F
InChIInChI=1S/C14H11F3N2O2/c15-12-10(5-3-7-18-12)13(20)19-8-9-4-1-2-6-11(9)21-14(16)17/h1-7,14H,8H2,(H,19,20)
InChIKeyIELDFUJZGSOXHT-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.75
Rot. Bonds5

About N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide

N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide (PubChem CID 107358541) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide
PubChem CID107358541
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)c1cccnc1F
InChIInChI=1S/C14H11F3N2O2/c15-12-10(5-3-7-18-12)13(20)19-8-9-4-1-2-6-11(9)21-14(16)17/h1-7,14H,8H2,(H,19,20)
InChIKeyIELDFUJZGSOXHT-UHFFFAOYSA-N
XLogP2.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 103754084
N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 86998055
2-fluoro-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 107358803
N-[(2,5-difluorophenyl)methyl]-2-fluoropyridine-3-carboxamide
CID 107363072
N-[[2-(difluoromethoxy)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 87008423
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 86927668
N-[(2-amino-3-pyridinyl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 135091161
2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 39709098
4-benzamido-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 24659050
2-amino-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334706

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide (CID 107358541) is N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide is O=C(NCc1ccccc1OC(F)F)c1cccnc1F.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide?
The InChIKey is IELDFUJZGSOXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-12-10(5-3-7-18-12)13(20)19-8-9-4-1-2-6-11(9)21-14(16)17/h1-7,14H,8H2,(H,19,20).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide has a molecular weight of 296.25 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide is sourced from PubChem (CID 107358541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).