N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(furan-2-carbonylamino)dibenzofuran-1-carboxamide

C24H13Cl2F2N3O5 — CID 11330367

IUPACN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(furan-2-carbonylamino)dibenzofuran-1-carboxamide
SMILESO=C(Nc1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1)c1ccco1
InChIInChI=1S/C24H13Cl2F2N3O5/c25-14-9-29-10-15(26)20(14)31-22(32)12-4-6-17(36-24(27)28)21-19(12)13-8-11(3-5-16(13)35-21)30-23(33)18-2-1-7-34-18/h1-10,24H,(H,30,33)(H,29,31,32)
InChIKeyZWLZIMGFPMQPQS-UHFFFAOYSA-N
MW532.29 g/mol
LogP6.99
Rot. Bonds6

About N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(furan-2-carbonylamino)dibenzofuran-1-carboxamide

N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(furan-2-carbonylamino)dibenzofuran-1-carboxamide (PubChem CID 11330367) has the molecular formula C24H13Cl2F2N3O5 and a molecular weight of 532.29 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(furan-2-carbonylamino)dibenzofuran-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(furan-2-carbonylamino)dibenzofuran-1-carboxamide
PubChem CID11330367
Molecular FormulaC24H13Cl2F2N3O5
Molecular Weight532.29 g/mol
Exact Mass531.02
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(furan-2-carbonylamino)dibenzofuran-1-carboxamide
SMILESO=C(Nc1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1)c1ccco1
InChIInChI=1S/C24H13Cl2F2N3O5/c25-14-9-29-10-15(26)20(14)31-22(32)12-4-6-17(36-24(27)28)21-19(12)13-8-11(3-5-16(13)35-21)30-23(33)18-2-1-7-34-18/h1-10,24H,(H,30,33)(H,29,31,32)
InChIKeyZWLZIMGFPMQPQS-UHFFFAOYSA-N
XLogP6.99
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.29
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(furan-2-carbonylamino)dibenzofuran-1-carboxamide with MolForge

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Related Compounds

Oglemilast
CID 11387409
2-acetyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1-benzofuran-4-carboxamide
CID 9821148
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1-benzofuran-4-carboxamide
CID 44562326
2-cyano-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1-benzofuran-4-carboxamide
CID 9799054
2-acetyl-N-(3-chloro-4-pyridinyl)-7-methoxy-1-benzofuran-4-carboxamide
CID 12041814
2-acetyl-N-(2-chloro-3-pyridinyl)-7-methoxy-1-benzofuran-4-carboxamide
CID 12041815
N-(3,5-dichloro-4-pyridinyl)-2-(1-hydroxyethyl)-7-methoxy-1-benzofuran-4-carboxamide
CID 12088761
N-(3,5-dichloro-4-pyridinyl)-2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran-4-carboxamide
CID 12088765
2-acetyl-7-methoxy-N-pyridin-4-yl-1-benzofuran-4-carboxamide
CID 15887290
N-(3,5-dichloro-4-pyridinyl)-2-ethyl-7-methoxy-1-benzofuran-4-carboxamide
CID 15887291
4-[(3,5-Dichloro-4-pyridyl)carbamoyl]-7-methoxybenzofuran-2-carboxylic Acid
CID 22734135
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(pyridine-4-carbonyl)-1-benzofuran-4-carboxamide
CID 44308040

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(furan-2-carbonylamino)dibenzofuran-1-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(furan-2-carbonylamino)dibenzofuran-1-carboxamide (CID 11330367) is N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(furan-2-carbonylamino)dibenzofuran-1-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(furan-2-carbonylamino)dibenzofuran-1-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(furan-2-carbonylamino)dibenzofuran-1-carboxamide is O=C(Nc1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1)c1ccco1.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(furan-2-carbonylamino)dibenzofuran-1-carboxamide?
The InChIKey is ZWLZIMGFPMQPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl2F2N3O5/c25-14-9-29-10-15(26)20(14)31-22(32)12-4-6-17(36-24(27)28)21-19(12)13-8-11(3-5-16(13)35-21)30-23(33)18-2-1-7-34-18/h1-10,24H,(H,30,33)(H,29,31,32).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(furan-2-carbonylamino)dibenzofuran-1-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(furan-2-carbonylamino)dibenzofuran-1-carboxamide has a molecular weight of 532.29 g/mol, XLogP of 6.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(furan-2-carbonylamino)dibenzofuran-1-carboxamide is sourced from PubChem (CID 11330367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).