N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide

C15H16BrFN2O — CID 107592544

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)Nc1cc(Br)c(F)cc1C
InChIInChI=1S/C15H16BrFN2O/c1-3-6-19-7-4-5-14(19)15(20)18-13-9-11(16)12(17)8-10(13)2/h4-5,7-9H,3,6H2,1-2H3,(H,18,20)
InChIKeyWRRSXCNAAVSEGF-UHFFFAOYSA-N
MW339.21 g/mol
LogP4.36
Rot. Bonds4

About N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide

N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide (PubChem CID 107592544) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
PubChem CID107592544
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)Nc1cc(Br)c(F)cc1C
InChIInChI=1S/C15H16BrFN2O/c1-3-6-19-7-4-5-14(19)15(20)18-13-9-11(16)12(17)8-10(13)2/h4-5,7-9H,3,6H2,1-2H3,(H,18,20)
InChIKeyWRRSXCNAAVSEGF-UHFFFAOYSA-N
XLogP4.36
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43639068
N-(5-bromo-4-fluoro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 103274919
5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639041
N-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide
CID 64780134
N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide
CID 43639066
2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
CID 60825640
4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107592498
N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 103274665
N-(5-bromo-4-fluoro-2-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 99832953
N-(2-bromo-5-methylphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609318
1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide
CID 61128394
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea
CID 103274772

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide (CID 107592544) is N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide is CCCn1cccc1C(=O)Nc1cc(Br)c(F)cc1C.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is WRRSXCNAAVSEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-3-6-19-7-4-5-14(19)15(20)18-13-9-11(16)12(17)8-10(13)2/h4-5,7-9H,3,6H2,1-2H3,(H,18,20).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 339.21 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 107592544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).