N-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide

C17H11BrCl2N2O2 — CID 2237787

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESCc1nc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1Br
InChIInChI=1S/C17H11BrCl2N2O2/c1-9-12(18)4-7-16(21-9)22-17(23)15-6-5-14(24-15)11-3-2-10(19)8-13(11)20/h2-8H,1H3,(H,21,22,23)
InChIKeySWDDXDNDEDDUJW-UHFFFAOYSA-N
MW426.10 g/mol
LogP5.97
Rot. Bonds3

About N-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide

N-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 2237787) has the molecular formula C17H11BrCl2N2O2 and a molecular weight of 426.10 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
PubChem CID2237787
Molecular FormulaC17H11BrCl2N2O2
Molecular Weight426.10 g/mol
Exact Mass423.94
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESCc1nc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1Br
InChIInChI=1S/C17H11BrCl2N2O2/c1-9-12(18)4-7-16(21-9)22-17(23)15-6-5-14(24-15)11-3-2-10(19)8-13(11)20/h2-8H,1H3,(H,21,22,23)
InChIKeySWDDXDNDEDDUJW-UHFFFAOYSA-N
XLogP5.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.10
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 23991423
N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 1321696
N-(4-amino-2-chloro-6-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 100816673
N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 2238913
5-(2,4-dichlorophenyl)-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 22777171
5-(2,5-dichlorophenyl)-N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]furan-2-carboxamide
CID 17316537
N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide
CID 4509260
5-(2-bromo-4-chlorophenyl)-N-hydroxyfuran-2-carboxamide
CID 91678246
N-(6-acetamido-1,3-benzoxazol-2-yl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 39380610
5-(2,4-dichlorophenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]furan-2-carboxamide
CID 2088903
N-(5-bromo-6-methyl-2-pyridinyl)-5,6-dichloropyridine-3-carboxamide
CID 79048562
5-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 1292402

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide (CID 2237787) is N-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide is Cc1nc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The InChIKey is SWDDXDNDEDDUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2N2O2/c1-9-12(18)4-7-16(21-9)22-17(23)15-6-5-14(24-15)11-3-2-10(19)8-13(11)20/h2-8H,1H3,(H,21,22,23).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide?
N-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide has a molecular weight of 426.10 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 2237787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).