N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-2-(trifluoromethyl)dibenzofuran-1-carboxamide

C20H9Cl2F5N2O4 — CID 90835343

IUPACN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-2-(trifluoromethyl)dibenzofuran-1-carboxamide
SMILESO=C(c1c(C(F)(F)F)cc(OC(F)F)c2oc3ccccc3c12)N(O)c1c(Cl)cncc1Cl
InChIInChI=1S/C20H9Cl2F5N2O4/c21-10-6-28-7-11(22)16(10)29(31)18(30)15-9(20(25,26)27)5-13(33-19(23)24)17-14(15)8-3-1-2-4-12(8)32-17/h1-7,19,31H
InChIKeyDYEFKJZUWGMFJL-UHFFFAOYSA-N
MW507.20 g/mol
LogP6.94
Rot. Bonds4

About N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-2-(trifluoromethyl)dibenzofuran-1-carboxamide

N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-2-(trifluoromethyl)dibenzofuran-1-carboxamide (PubChem CID 90835343) has the molecular formula C20H9Cl2F5N2O4 and a molecular weight of 507.20 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-2-(trifluoromethyl)dibenzofuran-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-2-(trifluoromethyl)dibenzofuran-1-carboxamide
PubChem CID90835343
Molecular FormulaC20H9Cl2F5N2O4
Molecular Weight507.20 g/mol
Exact Mass505.99
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-2-(trifluoromethyl)dibenzofuran-1-carboxamide
SMILESO=C(c1c(C(F)(F)F)cc(OC(F)F)c2oc3ccccc3c12)N(O)c1c(Cl)cncc1Cl
InChIInChI=1S/C20H9Cl2F5N2O4/c21-10-6-28-7-11(22)16(10)29(31)18(30)15-9(20(25,26)27)5-13(33-19(23)24)17-14(15)8-3-1-2-4-12(8)32-17/h1-7,19,31H
InChIKeyDYEFKJZUWGMFJL-UHFFFAOYSA-N
XLogP6.94
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.20
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide
CID 123491984
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide
CID 91364495
8-N-(3-chloropropyl)-8-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1,8-dicarboxamide
CID 140504441
N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide
CID 143227101
sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide
CID 11364118
2-methyl-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine
CID 24814733
2-(3,5-dichloro-4-pyridinyl)-1-(4-methoxydibenzofuran-1-yl)ethanone
CID 67149115
N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide
CID 69282533
3,5-dichloropyridine-4-carboxylic acid;2-(trifluoromethyl)phenol
CID 161256032
4-(cyclopropylmethoxy)-N-(3,5-dichloro-2-pyridinyl)-N-hydroxydibenzofuran-1-carboxamide
CID 90904706
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide
CID 11678716
2-[4-(difluoromethoxy)-8-(trifluoromethyl)dibenzofuran-1-yl]-1,3-thiazole-4-carboxylic acid
CID 46846421

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-2-(trifluoromethyl)dibenzofuran-1-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-2-(trifluoromethyl)dibenzofuran-1-carboxamide (CID 90835343) is N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-2-(trifluoromethyl)dibenzofuran-1-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-2-(trifluoromethyl)dibenzofuran-1-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-2-(trifluoromethyl)dibenzofuran-1-carboxamide is O=C(c1c(C(F)(F)F)cc(OC(F)F)c2oc3ccccc3c12)N(O)c1c(Cl)cncc1Cl.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-2-(trifluoromethyl)dibenzofuran-1-carboxamide?
The InChIKey is DYEFKJZUWGMFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9Cl2F5N2O4/c21-10-6-28-7-11(22)16(10)29(31)18(30)15-9(20(25,26)27)5-13(33-19(23)24)17-14(15)8-3-1-2-4-12(8)32-17/h1-7,19,31H.
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-2-(trifluoromethyl)dibenzofuran-1-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-2-(trifluoromethyl)dibenzofuran-1-carboxamide has a molecular weight of 507.20 g/mol, XLogP of 6.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-2-(trifluoromethyl)dibenzofuran-1-carboxamide is sourced from PubChem (CID 90835343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).