5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide

C14H9BrClF2NO3S — CID 18153355

IUPAC5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Br)c2OC(F)F)s1
InChIInChI=1S/C14H9BrClF2NO3S/c1-6(20)10-2-3-11(23-10)13(21)19-9-5-7(16)4-8(15)12(9)22-14(17)18/h2-5,14H,1H3,(H,19,21)
InChIKeyAJFDYQWBLCJDMB-UHFFFAOYSA-N
MW424.65 g/mol
LogP5.22
Rot. Bonds5

About 5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide

5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide (PubChem CID 18153355) has the molecular formula C14H9BrClF2NO3S and a molecular weight of 424.65 g/mol. Its IUPAC name is 5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide
PubChem CID18153355
Molecular FormulaC14H9BrClF2NO3S
Molecular Weight424.65 g/mol
Exact Mass422.91
IUPAC Name5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Br)c2OC(F)F)s1
InChIInChI=1S/C14H9BrClF2NO3S/c1-6(20)10-2-3-11(23-10)13(21)19-9-5-7(16)4-8(15)12(9)22-14(17)18/h2-5,14H,1H3,(H,19,21)
InChIKeyAJFDYQWBLCJDMB-UHFFFAOYSA-N
XLogP5.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.65
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide
CID 16613952
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide
CID 16613969
2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide
CID 107903695
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 18287143
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide
CID 43698111
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-nitrobenzamide
CID 16613954
3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide
CID 60836516
2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887594
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)acetamide
CID 16613982
2-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanediamide
CID 60847638
(E)-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 16613980
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
CID 16613998

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide (CID 18153355) is 5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Br)c2OC(F)F)s1.
What is the InChIKey of 5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide?
The InChIKey is AJFDYQWBLCJDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF2NO3S/c1-6(20)10-2-3-11(23-10)13(21)19-9-5-7(16)4-8(15)12(9)22-14(17)18/h2-5,14H,1H3,(H,19,21).
What are the key properties of 5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide?
5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide has a molecular weight of 424.65 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 18153355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).