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

C15H16BrFN2O — CID 103274919

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cccn1C(C)C
InChIInChI=1S/C15H16BrFN2O/c1-9(2)19-6-4-5-14(19)15(20)18-13-8-11(16)12(17)7-10(13)3/h4-9H,1-3H3,(H,18,20)
InChIKeySASKWYRKCCALQJ-UHFFFAOYSA-N
MW339.21 g/mol
LogP4.53
Rot. Bonds3

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

N-(5-bromo-4-fluoro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 103274919) 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-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID103274919
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cccn1C(C)C
InChIInChI=1S/C15H16BrFN2O/c1-9(2)19-6-4-5-14(19)15(20)18-13-8-11(16)12(17)7-10(13)3/h4-9H,1-3H3,(H,18,20)
InChIKeySASKWYRKCCALQJ-UHFFFAOYSA-N
XLogP4.53
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
CID 107592544
N-(6-bromo-2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 103909507
4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 102853993
4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107592498
N-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43639199
N-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide
CID 103274678
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592265
(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592355
N-(5-bromo-4-fluoro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 103274644
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
CID 107592257
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide
CID 103274583

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 103274919) is N-(5-bromo-4-fluoro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide is Cc1cc(F)c(Br)cc1NC(=O)c1cccn1C(C)C.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is SASKWYRKCCALQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-9(2)19-6-4-5-14(19)15(20)18-13-8-11(16)12(17)7-10(13)3/h4-9H,1-3H3,(H,18,20).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 339.21 g/mol, XLogP of 4.53, 3 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-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 103274919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).