N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide

C13H8Cl2F2N2O2 — CID 175345208

IUPACN-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)c(F)nc(F)c2Cl)cc1
InChIInChI=1S/C13H8Cl2F2N2O2/c1-21-7-4-2-6(3-5-7)13(20)18-10-8(14)11(16)19-12(17)9(10)15/h2-5H,1H3,(H,18,19,20)
InChIKeyYBJORFLNYBFMPN-UHFFFAOYSA-N
MW333.12 g/mol
LogP3.93
Rot. Bonds3

About N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide

N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide (PubChem CID 175345208) has the molecular formula C13H8Cl2F2N2O2 and a molecular weight of 333.12 g/mol. Its IUPAC name is N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide
PubChem CID175345208
Molecular FormulaC13H8Cl2F2N2O2
Molecular Weight333.12 g/mol
Exact Mass331.99
IUPAC NameN-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)c(F)nc(F)c2Cl)cc1
InChIInChI=1S/C13H8Cl2F2N2O2/c1-21-7-4-2-6(3-5-7)13(20)18-10-8(14)11(16)19-12(17)9(10)15/h2-5H,1H3,(H,18,19,20)
InChIKeyYBJORFLNYBFMPN-UHFFFAOYSA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.12
LogP ≤ 53.93
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

N-(4-amino-2,6-dichlorophenyl)-4-methoxybenzamide
CID 16774813
N-[3-chloro-5-[(4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 68786791
N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide
CID 116798448
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide
CID 19409659
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
N-[2-(3,4-dichloroanilino)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-methoxybenzamide
CID 2729388
N'-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxybenzohydrazide
CID 166593697
4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide
CID 110778514
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 1254136
N-(5-fluoro-3-pyridinyl)-4-methoxybenzamide
CID 110872306

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide?
The IUPAC name of N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide (CID 175345208) is N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide.
What is the SMILES notation for N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide?
The canonical SMILES for N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(Cl)c(F)nc(F)c2Cl)cc1.
What is the InChIKey of N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide?
The InChIKey is YBJORFLNYBFMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2N2O2/c1-21-7-4-2-6(3-5-7)13(20)18-10-8(14)11(16)19-12(17)9(10)15/h2-5H,1H3,(H,18,19,20).
What are the key properties of N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide?
N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide has a molecular weight of 333.12 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide is sourced from PubChem (CID 175345208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).