4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide

C15H16BrFN2O2 — CID 114839980

IUPAC4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Br)cn2C(C)C)ccc1F
InChIInChI=1S/C15H16BrFN2O2/c1-9(2)19-8-10(16)6-13(19)15(20)18-11-4-5-12(17)14(7-11)21-3/h4-9H,1-3H3,(H,18,20)
InChIKeyJFIPMZGKGVFVAM-UHFFFAOYSA-N
MW355.21 g/mol
LogP4.23
Rot. Bonds4

About 4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 114839980) has the molecular formula C15H16BrFN2O2 and a molecular weight of 355.21 g/mol. Its IUPAC name is 4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID114839980
Molecular FormulaC15H16BrFN2O2
Molecular Weight355.21 g/mol
Exact Mass354.04
IUPAC Name4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Br)cn2C(C)C)ccc1F
InChIInChI=1S/C15H16BrFN2O2/c1-9(2)19-8-10(16)6-13(19)15(20)18-11-4-5-12(17)14(7-11)21-3/h4-9H,1-3H3,(H,18,20)
InChIKeyJFIPMZGKGVFVAM-UHFFFAOYSA-N
XLogP4.23
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640158
4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640762
N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 60954488
4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79035675
4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 102853993
5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
CID 105285229
5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide
CID 114839248
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 107300892
4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641233
4-bromo-1-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrole-2-carboxamide
CID 78895551
N-(2-amino-5-methoxyphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 63257916
2-[3-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]phenoxy]acetic acid
CID 119224858

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 114839980) is 4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide is COc1cc(NC(=O)c2cc(Br)cn2C(C)C)ccc1F.
What is the InChIKey of 4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is JFIPMZGKGVFVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O2/c1-9(2)19-8-10(16)6-13(19)15(20)18-11-4-5-12(17)14(7-11)21-3/h4-9H,1-3H3,(H,18,20).
What are the key properties of 4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 355.21 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 114839980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).