N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide

C12H7BrF3NO2 — CID 8919733

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C12H7BrF3NO2/c13-9-4-3-7(6-8(9)12(14,15)16)17-11(18)10-2-1-5-19-10/h1-6H,(H,17,18)
InChIKeyJBVRABRWCRNSQL-UHFFFAOYSA-N
MW334.09 g/mol
LogP4.31
Rot. Bonds2

About N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 8919733) has the molecular formula C12H7BrF3NO2 and a molecular weight of 334.09 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID8919733
Molecular FormulaC12H7BrF3NO2
Molecular Weight334.09 g/mol
Exact Mass332.96
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C12H7BrF3NO2/c13-9-4-3-7(6-8(9)12(14,15)16)17-11(18)10-2-1-5-19-10/h1-6H,(H,17,18)
InChIKeyJBVRABRWCRNSQL-UHFFFAOYSA-N
XLogP4.31
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.09
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[3-bromo-4-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]furan-2-carboxamide
CID 141024677
N-[4-carbamothioyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 65483387
N-[4-[[2-(4-bromophenyl)acetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062040
N-[4-[3-(2-bromophenyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55501031
N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide
CID 5090166
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106685898
N-[4-[(2-chlorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43041357
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24658893
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-(furan-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55573943
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide
CID 60630150

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 8919733) is N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccco1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is JBVRABRWCRNSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3NO2/c13-9-4-3-7(6-8(9)12(14,15)16)17-11(18)10-2-1-5-19-10/h1-6H,(H,17,18).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 334.09 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 8919733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).