N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide

C18H11Br2F2NO2S — CID 19495008

IUPACN-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
SMILESO=C(Nc1c(Br)cc(F)cc1Br)c1cc(COc2ccccc2F)cs1
InChIInChI=1S/C18H11Br2F2NO2S/c19-12-6-11(21)7-13(20)17(12)23-18(24)16-5-10(9-26-16)8-25-15-4-2-1-3-14(15)22/h1-7,9H,8H2,(H,23,24)
InChIKeyOPLXSMBIOHOFIA-UHFFFAOYSA-N
MW503.16 g/mol
LogP6.38
Rot. Bonds5

About N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide

N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19495008) has the molecular formula C18H11Br2F2NO2S and a molecular weight of 503.16 g/mol. Its IUPAC name is N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
PubChem CID19495008
Molecular FormulaC18H11Br2F2NO2S
Molecular Weight503.16 g/mol
Exact Mass500.88
IUPAC NameN-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
SMILESO=C(Nc1c(Br)cc(F)cc1Br)c1cc(COc2ccccc2F)cs1
InChIInChI=1S/C18H11Br2F2NO2S/c19-12-6-11(21)7-13(20)17(12)23-18(24)16-5-10(9-26-16)8-25-15-4-2-1-3-14(15)22/h1-7,9H,8H2,(H,23,24)
InChIKeyOPLXSMBIOHOFIA-UHFFFAOYSA-N
XLogP6.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.16
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495460
4-[(2-fluorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19495079
4-[(2,4-difluorophenoxy)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide
CID 19469744
N-(4-bromo-2-fluorophenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503044
N-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495087
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495003
N-(2-chloro-5-nitrophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495064
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469648
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492810
4-[(2-chlorophenoxy)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19503120
4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19469618

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide (CID 19495008) is N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide is O=C(Nc1c(Br)cc(F)cc1Br)c1cc(COc2ccccc2F)cs1.
What is the InChIKey of N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is OPLXSMBIOHOFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Br2F2NO2S/c19-12-6-11(21)7-13(20)17(12)23-18(24)16-5-10(9-26-16)8-25-15-4-2-1-3-14(15)22/h1-7,9H,8H2,(H,23,24).
What are the key properties of N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide?
N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 503.16 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19495008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).