N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide

C13H9ClF2N2O2 — CID 115627281

IUPACN-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide
SMILESO=C(Nc1cc(Cl)ccn1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H9ClF2N2O2/c14-9-5-6-17-11(7-9)18-12(19)8-1-3-10(4-2-8)20-13(15)16/h1-7,13H,(H,17,18,19)
InChIKeyNLDYNOHJFGMFJZ-UHFFFAOYSA-N
MW298.68 g/mol
LogP3.59
Rot. Bonds4

About N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide

N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide (PubChem CID 115627281) has the molecular formula C13H9ClF2N2O2 and a molecular weight of 298.68 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide
PubChem CID115627281
Molecular FormulaC13H9ClF2N2O2
Molecular Weight298.68 g/mol
Exact Mass298.03
IUPAC NameN-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide
SMILESO=C(Nc1cc(Cl)ccn1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H9ClF2N2O2/c14-9-5-6-17-11(7-9)18-12(19)8-1-3-10(4-2-8)20-13(15)16/h1-7,13H,(H,17,18,19)
InChIKeyNLDYNOHJFGMFJZ-UHFFFAOYSA-N
XLogP3.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.68
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-pyridinyl)-4-ethoxybenzamide
CID 115626710
4-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-N-(4-chloro-2-pyridinyl)benzamide
CID 163362745
N-(2,5-dichlorophenyl)-4-(difluoromethoxy)benzamide
CID 4846901
3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103707248
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 113330232
4-bromo-N-(4-chloro-2-pyridinyl)-3-hydroxybenzamide
CID 103830593
5-chloro-N-(4-chloro-2-pyridinyl)-2-fluorobenzamide
CID 113236117
N-(4-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115626766
4-chloro-N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]benzohydrazide
CID 2340459
2-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-4-carboxamide
CID 103751880
4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide
CID 82343541

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide (CID 115627281) is N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide is O=C(Nc1cc(Cl)ccn1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide?
The InChIKey is NLDYNOHJFGMFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O2/c14-9-5-6-17-11(7-9)18-12(19)8-1-3-10(4-2-8)20-13(15)16/h1-7,13H,(H,17,18,19).
What are the key properties of N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide?
N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide has a molecular weight of 298.68 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 115627281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).