N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide

C21H15ClF2N2O3 — CID 143227101

IUPACN-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide
SMILESCc1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(C)cncc4Cl)c3c2c1
InChIInChI=1S/C21H15ClF2N2O3/c1-10-3-5-15-13(7-10)17-12(4-6-16(19(17)28-15)29-21(23)24)20(27)26-18-11(2)8-25-9-14(18)22/h3-9,21H,1-2H3,(H,25,26,27)
InChIKeyZNXMXCUAVMJESN-UHFFFAOYSA-N
MW416.81 g/mol
LogP6.10
Rot. Bonds4

About N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide

N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide (PubChem CID 143227101) has the molecular formula C21H15ClF2N2O3 and a molecular weight of 416.81 g/mol. Its IUPAC name is N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide
PubChem CID143227101
Molecular FormulaC21H15ClF2N2O3
Molecular Weight416.81 g/mol
Exact Mass416.07
IUPAC NameN-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide
SMILESCc1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(C)cncc4Cl)c3c2c1
InChIInChI=1S/C21H15ClF2N2O3/c1-10-3-5-15-13(7-10)17-12(4-6-16(19(17)28-15)29-21(23)24)20(27)26-18-11(2)8-25-9-14(18)22/h3-9,21H,1-2H3,(H,25,26,27)
InChIKeyZNXMXCUAVMJESN-UHFFFAOYSA-N
XLogP6.10
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.81
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide 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

sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide
CID 11364118
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide
CID 11678716
3-chloropropyl N-[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-(difluoromethoxy)dibenzofuran-2-yl]methanimidate
CID 58867885
sodium 2-[[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-methoxydibenzofuran-2-yl]amino]-2-oxoacetate
CID 23686730
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide
CID 91364495
8-(cyclopropanecarbonylamino)-N-(3,5-dichloro-4-pyridinyl)-4-methoxydibenzofuran-1-carboxamide
CID 11202218
N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide
CID 11202725
N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide
CID 69282533
sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride
CID 172996861
ethyl N-[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-methoxydibenzofuran-2-yl]methanimidate
CID 58867875
N-(3,5-dichloro-4-pyridinyl)-6-(difluoromethoxy)-N-hydroxy-[1]benzofuro[3,2-c]pyridine-9-carboxamide
CID 123491984
ethyl 2-[1-[(3,5-dichloro-4-pyridinyl)carbamoyl]dibenzofuran-4-yl]oxyacetate
CID 10411865

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide?
The IUPAC name of N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide (CID 143227101) is N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide.
What is the SMILES notation for N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide?
The canonical SMILES for N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide is Cc1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(C)cncc4Cl)c3c2c1.
What is the InChIKey of N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide?
The InChIKey is ZNXMXCUAVMJESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N2O3/c1-10-3-5-15-13(7-10)17-12(4-6-16(19(17)28-15)29-21(23)24)20(27)26-18-11(2)8-25-9-14(18)22/h3-9,21H,1-2H3,(H,25,26,27).
What are the key properties of N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide?
N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide has a molecular weight of 416.81 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide is sourced from PubChem (CID 143227101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).