N-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide

C12H6BrClF3NO3 — CID 107336561

IUPACN-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)c(Br)c1)c1ccc(Cl)o1
InChIInChI=1S/C12H6BrClF3NO3/c13-7-5-6(1-2-8(7)21-12(15,16)17)18-11(19)9-3-4-10(14)20-9/h1-5H,(H,18,19)
InChIKeyBOAWXAFGKIHMAK-UHFFFAOYSA-N
MW384.54 g/mol
LogP4.85
Rot. Bonds3

About N-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide

N-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide (PubChem CID 107336561) has the molecular formula C12H6BrClF3NO3 and a molecular weight of 384.54 g/mol. Its IUPAC name is N-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide
PubChem CID107336561
Molecular FormulaC12H6BrClF3NO3
Molecular Weight384.54 g/mol
Exact Mass382.92
IUPAC NameN-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)c(Br)c1)c1ccc(Cl)o1
InChIInChI=1S/C12H6BrClF3NO3/c13-7-5-6(1-2-8(7)21-12(15,16)17)18-11(19)9-3-4-10(14)20-9/h1-5H,(H,18,19)
InChIKeyBOAWXAFGKIHMAK-UHFFFAOYSA-N
XLogP4.85
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid
CID 23139549
N-[3-bromo-4-(trifluoromethoxy)phenyl]-2-methylprop-2-enamide
CID 175097026
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide
CID 103708558
(E)-4-[3-bromo-4-(trifluoromethoxy)anilino]-4-oxobut-2-enoic acid
CID 107335805
3-[[3-bromo-4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 107336642
N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(pyridin-4-ylmethylsulfanyl)furan-2-carboxamide
CID 23094050
N-[3-bromo-4-(trifluoromethoxy)phenyl]azetidine-3-carboxamide
CID 107336439
5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide
CID 106690004
N-[3-bromo-4-(trifluoromethoxy)phenyl]-1-carbamothioylcyclopropane-1-carboxamide
CID 107336533
N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide
CID 106690051
4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-methylpentanamide
CID 107336495
[3-bromo-4-(trifluoromethoxy)phenyl]hydrazine
CID 118818953

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide?
The IUPAC name of N-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide (CID 107336561) is N-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide.
What is the SMILES notation for N-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide?
The canonical SMILES for N-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide is O=C(Nc1ccc(OC(F)(F)F)c(Br)c1)c1ccc(Cl)o1.
What is the InChIKey of N-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide?
The InChIKey is BOAWXAFGKIHMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF3NO3/c13-7-5-6(1-2-8(7)21-12(15,16)17)18-11(19)9-3-4-10(14)20-9/h1-5H,(H,18,19).
What are the key properties of N-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide?
N-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide has a molecular weight of 384.54 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-4-(trifluoromethoxy)phenyl]-5-chlorofuran-2-carboxamide is sourced from PubChem (CID 107336561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).