N-(5-bromo-2-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide

C14H13BrF2N2O2 — CID 114609230

IUPACN-(5-bromo-2-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)c1cccn1CC(F)F
InChIInChI=1S/C14H13BrF2N2O2/c1-21-12-5-4-9(15)7-10(12)18-14(20)11-3-2-6-19(11)8-13(16)17/h2-7,13H,8H2,1H3,(H,18,20)
InChIKeyVURLNPIORJTENR-UHFFFAOYSA-N
MW359.17 g/mol
LogP3.78
Rot. Bonds5

About N-(5-bromo-2-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide

N-(5-bromo-2-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide (PubChem CID 114609230) has the molecular formula C14H13BrF2N2O2 and a molecular weight of 359.17 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
PubChem CID114609230
Molecular FormulaC14H13BrF2N2O2
Molecular Weight359.17 g/mol
Exact Mass358.01
IUPAC NameN-(5-bromo-2-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)c1cccn1CC(F)F
InChIInChI=1S/C14H13BrF2N2O2/c1-21-12-5-4-9(15)7-10(12)18-14(20)11-3-2-6-19(11)8-13(16)17/h2-7,13H,8H2,1H3,(H,18,20)
InChIKeyVURLNPIORJTENR-UHFFFAOYSA-N
XLogP3.78
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609241
N-(2-bromo-5-methylphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609318
N-(2-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609297
N-(4-amino-3-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114610106
methyl 3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylate
CID 114610707
N-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 62908256
2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]benzoic acid
CID 114608561
N-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609290
methyl 2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]acetate
CID 114610698
3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide
CID 47317753
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
4-amino-N-(5-bromo-2-methoxyphenyl)-3,5-difluorobenzamide
CID 63185721

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide (CID 114609230) is N-(5-bromo-2-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide is COc1ccc(Br)cc1NC(=O)c1cccn1CC(F)F.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide?
The InChIKey is VURLNPIORJTENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2O2/c1-21-12-5-4-9(15)7-10(12)18-14(20)11-3-2-6-19(11)8-13(16)17/h2-7,13H,8H2,1H3,(H,18,20).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide?
N-(5-bromo-2-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide has a molecular weight of 359.17 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114609230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).