4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide

C14H13BrF2N2OS — CID 60955535

IUPAC4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C14H13BrF2N2OS/c1-2-19-8-9(15)7-12(19)13(20)18-10-3-5-11(6-4-10)21-14(16)17/h3-8,14H,2H2,1H3,(H,18,20)
InChIKeyLVBCOLRDEGTYJA-UHFFFAOYSA-N
MW375.24 g/mol
LogP4.84
Rot. Bonds5

About 4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide

4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide (PubChem CID 60955535) has the molecular formula C14H13BrF2N2OS and a molecular weight of 375.24 g/mol. Its IUPAC name is 4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide
PubChem CID60955535
Molecular FormulaC14H13BrF2N2OS
Molecular Weight375.24 g/mol
Exact Mass373.99
IUPAC Name4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C14H13BrF2N2OS/c1-2-19-8-9(15)7-12(19)13(20)18-10-3-5-11(6-4-10)21-14(16)17/h3-8,14H,2H2,1H3,(H,18,20)
InChIKeyLVBCOLRDEGTYJA-UHFFFAOYSA-N
XLogP4.84
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.24
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide
CID 43640826
N-(3-amino-4-fluorophenyl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 63257043
4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 60955301
4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641006
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 107300902
4-bromo-N-(2,3-dihydro-1H-indol-5-yl)-1-ethylpyrrole-2-carboxamide;hydrochloride
CID 119473757
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
4-bromo-1-ethyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
CID 56556366
4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62816949
4-bromo-N-(2-bromo-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 103753374
4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 43639639
4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide
CID 43641190

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide (CID 60955535) is 4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide?
The InChIKey is LVBCOLRDEGTYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2OS/c1-2-19-8-9(15)7-12(19)13(20)18-10-3-5-11(6-4-10)21-14(16)17/h3-8,14H,2H2,1H3,(H,18,20).
What are the key properties of 4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide?
4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide has a molecular weight of 375.24 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 60955535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).