N-(5-bromo-4-methyl-2-pyridinyl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide

C18H11BrClF3N2O2 — CID 39890738

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)ncc1Br
InChIInChI=1S/C18H11BrClF3N2O2/c1-9-6-16(24-8-12(9)19)25-17(26)15-5-4-14(27-15)11-7-10(18(21,22)23)2-3-13(11)20/h2-8H,1H3,(H,24,25,26)
InChIKeyRZJMORFAWLNMJI-UHFFFAOYSA-N
MW459.65 g/mol
LogP6.34
Rot. Bonds3

About N-(5-bromo-4-methyl-2-pyridinyl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide

N-(5-bromo-4-methyl-2-pyridinyl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 39890738) has the molecular formula C18H11BrClF3N2O2 and a molecular weight of 459.65 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID39890738
Molecular FormulaC18H11BrClF3N2O2
Molecular Weight459.65 g/mol
Exact Mass457.96
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)ncc1Br
InChIInChI=1S/C18H11BrClF3N2O2/c1-9-6-16(24-8-12(9)19)25-17(26)15-5-4-14(27-15)11-7-10(18(21,22)23)2-3-13(11)20/h2-8H,1H3,(H,24,25,26)
InChIKeyRZJMORFAWLNMJI-UHFFFAOYSA-N
XLogP6.34
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.65
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 3516344
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3643749
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylfuran-2-carboxamide
CID 6491179
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
CID 113397189
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[4-(1H-indazol-6-yl)phenyl]furan-2-carboxamide
CID 141265502
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 81232858
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3551441
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide
CID 107096916
4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide
CID 81294858
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide
CID 79733686
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(5-cyclopentylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 39735195
N-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 2237787

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 39890738) is N-(5-bromo-4-methyl-2-pyridinyl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is RZJMORFAWLNMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrClF3N2O2/c1-9-6-16(24-8-12(9)19)25-17(26)15-5-4-14(27-15)11-7-10(18(21,22)23)2-3-13(11)20/h2-8H,1H3,(H,24,25,26).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-(5-bromo-4-methyl-2-pyridinyl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 459.65 g/mol, XLogP of 6.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 39890738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).