sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide

C21H13Cl2F2N3NaO4+ — CID 11364118

IUPACsodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide
SMILESCC(=O)Nc1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1.[Na+]
InChIInChI=1S/C21H13Cl2F2N3O4.Na/c1-9(29)27-10-2-4-15-12(6-10)17-11(3-5-16(19(17)31-15)32-21(24)25)20(30)28-18-13(22)7-26-8-14(18)23;/h2-8,21H,1H3,(H,27,29)(H,26,28,30);/q;+1
InChIKeyNFQWQPABQZGOIQ-UHFFFAOYSA-N
MW503.24 g/mol
LogP3.10
Rot. Bonds5

About sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide

sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide (PubChem CID 11364118) has the molecular formula C21H13Cl2F2N3NaO4+ and a molecular weight of 503.24 g/mol. Its IUPAC name is sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide.

Molecular Properties

Compound Namesodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide
PubChem CID11364118
Molecular FormulaC21H13Cl2F2N3NaO4+
Molecular Weight503.24 g/mol
Exact Mass502.01
IUPAC Namesodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide
SMILESCC(=O)Nc1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1.[Na+]
InChIInChI=1S/C21H13Cl2F2N3O4.Na/c1-9(29)27-10-2-4-15-12(6-10)17-11(3-5-16(19(17)31-15)32-21(24)25)20(30)28-18-13(22)7-26-8-14(18)23;/h2-8,21H,1H3,(H,27,29)(H,26,28,30);/q;+1
InChIKeyNFQWQPABQZGOIQ-UHFFFAOYSA-N
XLogP3.10
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.24
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-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

N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide
CID 143227101
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)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide
CID 11678716
8-(cyclopropanecarbonylamino)-N-(3,5-dichloro-4-pyridinyl)-4-methoxydibenzofuran-1-carboxamide
CID 11202218
3-chloropropyl N-[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-(difluoromethoxy)dibenzofuran-2-yl]methanimidate
CID 58867885
N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide
CID 11202725
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-N-hydroxy-8-(methanesulfonamido)dibenzofuran-1-carboxamide
CID 91364495
sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride
CID 172996861
N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide
CID 69282533
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
1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone
CID 143212775

Frequently Asked Questions

What is the IUPAC name of sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide?
The IUPAC name of sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide (CID 11364118) is sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide.
What is the SMILES notation for sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide?
The canonical SMILES for sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide is CC(=O)Nc1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1.[Na+].
What is the InChIKey of sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide?
The InChIKey is NFQWQPABQZGOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2F2N3O4.Na/c1-9(29)27-10-2-4-15-12(6-10)17-11(3-5-16(19(17)31-15)32-21(24)25)20(30)28-18-13(22)7-26-8-14(18)23;/h2-8,21H,1H3,(H,27,29)(H,26,28,30);/q;+1.
What are the key properties of sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide?
sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide has a molecular weight of 503.24 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide is sourced from PubChem (CID 11364118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).