N-(4-bromo-2-fluorophenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide

C18H12BrClFNO2S — CID 19503044

IUPACN-(4-bromo-2-fluorophenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cc(COc2ccccc2Cl)cs1
InChIInChI=1S/C18H12BrClFNO2S/c19-12-5-6-15(14(21)8-12)22-18(23)17-7-11(10-25-17)9-24-16-4-2-1-3-13(16)20/h1-8,10H,9H2,(H,22,23)
InChIKeyPMHBAYJAFAXBFT-UHFFFAOYSA-N
MW440.72 g/mol
LogP6.13
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide

N-(4-bromo-2-fluorophenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19503044) has the molecular formula C18H12BrClFNO2S and a molecular weight of 440.72 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
PubChem CID19503044
Molecular FormulaC18H12BrClFNO2S
Molecular Weight440.72 g/mol
Exact Mass438.94
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cc(COc2ccccc2Cl)cs1
InChIInChI=1S/C18H12BrClFNO2S/c19-12-5-6-15(14(21)8-12)22-18(23)17-7-11(10-25-17)9-24-16-4-2-1-3-13(16)20/h1-8,10H,9H2,(H,22,23)
InChIKeyPMHBAYJAFAXBFT-UHFFFAOYSA-N
XLogP6.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.72
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide
CID 19503002
4-[(2-chlorophenoxy)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19503120
N-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503027
N-(2-chloro-5-nitrophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495064
N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495008
N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide
CID 1279612
N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469408
N-[2-(difluoromethoxy)-4-methylphenyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495087
4-[(2-chlorophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19503171
N-(2,4-dimethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19501342
4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 19503099
N-(2,5-difluorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19501025

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide (CID 19503044) is N-(4-bromo-2-fluorophenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide is O=C(Nc1ccc(Br)cc1F)c1cc(COc2ccccc2Cl)cs1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is PMHBAYJAFAXBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClFNO2S/c19-12-5-6-15(14(21)8-12)22-18(23)17-7-11(10-25-17)9-24-16-4-2-1-3-13(16)20/h1-8,10H,9H2,(H,22,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide?
N-(4-bromo-2-fluorophenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 440.72 g/mol, XLogP of 6.13, 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)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19503044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).