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

C15H17BrN2O2 — CID 43640762

IUPAC4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C15H17BrN2O2/c1-10(2)18-9-11(16)8-13(18)15(19)17-12-6-4-5-7-14(12)20-3/h4-10H,1-3H3,(H,17,19)
InChIKeyDKKMUOGRDVKDFV-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.09
Rot. Bonds4

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

4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 43640762) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID43640762
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C15H17BrN2O2/c1-10(2)18-9-11(16)8-13(18)15(19)17-12-6-4-5-7-14(12)20-3/h4-10H,1-3H3,(H,17,19)
InChIKeyDKKMUOGRDVKDFV-UHFFFAOYSA-N
XLogP4.09
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 114839980
4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 102853993
4-amino-N-(2-methoxy-5-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642946
2-[3-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]phenoxy]acetic acid
CID 119224858
N-(2-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24583509
4-bromo-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641275
4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 115666662
4-bromo-N-(2-methoxy-5-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 17410270
4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 78895818
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylpyrrole-2-carboxamide
CID 103868655
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 43640762) is 4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide is COc1ccccc1NC(=O)c1cc(Br)cn1C(C)C.
What is the InChIKey of 4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is DKKMUOGRDVKDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10(2)18-9-11(16)8-13(18)15(19)17-12-6-4-5-7-14(12)20-3/h4-10H,1-3H3,(H,17,19).
What are the key properties of 4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 337.22 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 43640762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).