N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide

C18H12Br2FNO3 — CID 19413479

IUPACN-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc(COc2ccc(Br)cc2)o1
InChIInChI=1S/C18H12Br2FNO3/c19-11-1-4-13(5-2-11)24-10-14-6-8-17(25-14)18(23)22-16-7-3-12(20)9-15(16)21/h1-9H,10H2,(H,22,23)
InChIKeySOIAECLSBPVXSY-UHFFFAOYSA-N
MW469.10 g/mol
LogP5.78
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide

N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide (PubChem CID 19413479) has the molecular formula C18H12Br2FNO3 and a molecular weight of 469.10 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
PubChem CID19413479
Molecular FormulaC18H12Br2FNO3
Molecular Weight469.10 g/mol
Exact Mass466.92
IUPAC NameN-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc(COc2ccc(Br)cc2)o1
InChIInChI=1S/C18H12Br2FNO3/c19-11-1-4-13(5-2-11)24-10-14-6-8-17(25-14)18(23)22-16-7-3-12(20)9-15(16)21/h1-9H,10H2,(H,22,23)
InChIKeySOIAECLSBPVXSY-UHFFFAOYSA-N
XLogP5.78
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.10
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19465375
5-[(4-bromophenoxy)methyl]-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 19413541
N-(4-bromo-2-fluorophenyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19447013
N-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415916
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 26903055
N-(4-chloro-2-fluorophenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 3242441
N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413042
N-(2,4-dichlorophenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830642
5-[(4-acetylphenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide
CID 19455249
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 55778335
methyl 2-[4-[[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate
CID 55917271
5-[(4-tert-butylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide
CID 19450727

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide (CID 19413479) is N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide is O=C(Nc1ccc(Br)cc1F)c1ccc(COc2ccc(Br)cc2)o1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide?
The InChIKey is SOIAECLSBPVXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br2FNO3/c19-11-1-4-13(5-2-11)24-10-14-6-8-17(25-14)18(23)22-16-7-3-12(20)9-15(16)21/h1-9H,10H2,(H,22,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide?
N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide has a molecular weight of 469.10 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19413479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).