5-bromo-N-methyl-N-[2-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]furan-2-carboxamide

C17H16BrF3N2O3 — CID 56548421

IUPAC5-bromo-N-methyl-N-[2-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C17H16BrF3N2O3/c1-22(10-9-17(19,20)21)15(24)11-5-3-4-6-12(11)23(2)16(25)13-7-8-14(18)26-13/h3-8H,9-10H2,1-2H3
InChIKeyFZZRSSLGGOKSML-UHFFFAOYSA-N
MW433.22 g/mol
LogP4.34
Rot. Bonds5

About 5-bromo-N-methyl-N-[2-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-methyl-N-[2-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 56548421) has the molecular formula C17H16BrF3N2O3 and a molecular weight of 433.22 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[2-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[2-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID56548421
Molecular FormulaC17H16BrF3N2O3
Molecular Weight433.22 g/mol
Exact Mass432.03
IUPAC Name5-bromo-N-methyl-N-[2-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C17H16BrF3N2O3/c1-22(10-9-17(19,20)21)15(24)11-5-3-4-6-12(11)23(2)16(25)13-7-8-14(18)26-13/h3-8H,9-10H2,1-2H3
InChIKeyFZZRSSLGGOKSML-UHFFFAOYSA-N
XLogP4.34
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.22
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-methyl-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55788964
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CID 4683297
5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55791443
5-bromo-N-methyl-N-[2-[3-(methylamino)propylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119432173
N-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 120507749
2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 61381239
5-bromo-N-methyl-N-[2-[(4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55786676
5-bromo-N-methyl-N-[2-(3-phenylprop-2-ynylcarbamoyl)phenyl]furan-2-carboxamide
CID 55929010
5-bromo-N-[2-[[4-(carbamoylamino)phenyl]methylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 112838198
5-bromo-N-methyl-N-[2-(3-phenoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 55928894
5-bromo-N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55981246
5-bromo-N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoyl)phenyl]-N-methylfuran-2-carboxamide
CID 55965542

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[2-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[2-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]furan-2-carboxamide (CID 56548421) is 5-bromo-N-methyl-N-[2-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[2-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[2-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]furan-2-carboxamide is CN(CCC(F)(F)F)C(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-methyl-N-[2-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is FZZRSSLGGOKSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF3N2O3/c1-22(10-9-17(19,20)21)15(24)11-5-3-4-6-12(11)23(2)16(25)13-7-8-14(18)26-13/h3-8H,9-10H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-[2-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-methyl-N-[2-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 433.22 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[2-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 56548421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).