N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide

C17H14Cl2F2N2O4 — CID 23204555

IUPACN-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)c(F)nc(F)c2Cl)cc1OC1CCOC1
InChIInChI=1S/C17H14Cl2F2N2O4/c1-25-10-3-2-8(6-11(10)27-9-4-5-26-7-9)17(24)22-14-12(18)15(20)23-16(21)13(14)19/h2-3,6,9H,4-5,7H2,1H3,(H,22,23,24)
InChIKeyLSQNLWXMPLFKRO-UHFFFAOYSA-N
MW419.21 g/mol
LogP4.10
Rot. Bonds5

About N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide

N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide (PubChem CID 23204555) has the molecular formula C17H14Cl2F2N2O4 and a molecular weight of 419.21 g/mol. Its IUPAC name is N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide
PubChem CID23204555
Molecular FormulaC17H14Cl2F2N2O4
Molecular Weight419.21 g/mol
Exact Mass418.03
IUPAC NameN-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)c(F)nc(F)c2Cl)cc1OC1CCOC1
InChIInChI=1S/C17H14Cl2F2N2O4/c1-25-10-3-2-8(6-11(10)27-9-4-5-26-7-9)17(24)22-14-12(18)15(20)23-16(21)13(14)19/h2-3,6,9H,4-5,7H2,1H3,(H,22,23,24)
InChIKeyLSQNLWXMPLFKRO-UHFFFAOYSA-N
XLogP4.10
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.21
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dichloro-4-methoxyphenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide
CID 23204629
N-(4-amino-2,6-dichlorophenyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide
CID 23204726
3,5-dichloro-4-[[4-methoxy-3-(oxolan-3-yloxy)benzoyl]amino]benzamide
CID 23204628
bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone
CID 57156728
N-(5-chloro-2-methoxyphenyl)-2-[(3R)-oxolan-3-yl]oxypyridine-4-carboxamide
CID 124615990
N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide
CID 175345208
3-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]-3-oxopropanal
CID 58883405
N-(3,5-dichloro-4-pyridinyl)-5-methoxy-6-(oxolan-3-yloxy)pyridine-2-carboxamide
CID 23204546
N-(2,6-difluorophenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815300
1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone
CID 63559449
N-(2,4-dimethoxyphenyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730426
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide?
The IUPAC name of N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide (CID 23204555) is N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide.
What is the SMILES notation for N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide?
The canonical SMILES for N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide is COc1ccc(C(=O)Nc2c(Cl)c(F)nc(F)c2Cl)cc1OC1CCOC1.
What is the InChIKey of N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide?
The InChIKey is LSQNLWXMPLFKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F2N2O4/c1-25-10-3-2-8(6-11(10)27-9-4-5-26-7-9)17(24)22-14-12(18)15(20)23-16(21)13(14)19/h2-3,6,9H,4-5,7H2,1H3,(H,22,23,24).
What are the key properties of N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide?
N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide has a molecular weight of 419.21 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxy-3-(oxolan-3-yloxy)benzamide is sourced from PubChem (CID 23204555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).