N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide

C17H9BrCl2FNO2 — CID 2238913

IUPACN-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H9BrCl2FNO2/c18-9-1-4-14(13(21)7-9)22-17(23)16-6-5-15(24-16)11-3-2-10(19)8-12(11)20/h1-8H,(H,22,23)
InChIKeyLGQHRQZDGCJYMP-UHFFFAOYSA-N
MW429.07 g/mol
LogP6.41
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide

N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 2238913) has the molecular formula C17H9BrCl2FNO2 and a molecular weight of 429.07 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
PubChem CID2238913
Molecular FormulaC17H9BrCl2FNO2
Molecular Weight429.07 g/mol
Exact Mass426.92
IUPAC NameN-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C17H9BrCl2FNO2/c18-9-1-4-14(13(21)7-9)22-17(23)16-6-5-15(24-16)11-3-2-10(19)8-12(11)20/h1-8H,(H,22,23)
InChIKeyLGQHRQZDGCJYMP-UHFFFAOYSA-N
XLogP6.41
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.07
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-fluorophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 9404808
5-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 23991423
5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide
CID 94675227
N-(4-bromo-2-fluorophenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840683
N-(5-chloro-2-morpholin-4-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 5032750
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17272468
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 135635026
N-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 2237787
N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 1321696
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3643749
N-(2-amino-4-bromophenyl)-5-(2-bromo-4-methylphenyl)furan-2-carboxamide
CID 91687510
N-(2-amino-4-bromophenyl)-5-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 91687495

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide (CID 2238913) is N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide is O=C(Nc1ccc(Br)cc1F)c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The InChIKey is LGQHRQZDGCJYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrCl2FNO2/c18-9-1-4-14(13(21)7-9)22-17(23)16-6-5-15(24-16)11-3-2-10(19)8-12(11)20/h1-8H,(H,22,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide has a molecular weight of 429.07 g/mol, XLogP of 6.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 2238913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).