N-(2-amino-5-methoxyphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide

C15H18BrN3O2 — CID 63257916

IUPACN-(2-amino-5-methoxyphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2cc(Br)cn2C(C)C)c1
InChIInChI=1S/C15H18BrN3O2/c1-9(2)19-8-10(16)6-14(19)15(20)18-13-7-11(21-3)4-5-12(13)17/h4-9H,17H2,1-3H3,(H,18,20)
InChIKeyGXZQAXKVOWWERM-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.67
Rot. Bonds4

About N-(2-amino-5-methoxyphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide

N-(2-amino-5-methoxyphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 63257916) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID63257916
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC NameN-(2-amino-5-methoxyphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2cc(Br)cn2C(C)C)c1
InChIInChI=1S/C15H18BrN3O2/c1-9(2)19-8-10(16)6-14(19)15(20)18-13-7-11(21-3)4-5-12(13)17/h4-9H,17H2,1-3H3,(H,18,20)
InChIKeyGXZQAXKVOWWERM-UHFFFAOYSA-N
XLogP3.67
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640762
4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 102853993
4-amino-N-(4-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642223
4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640158
4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylpyrrole-2-carboxamide
CID 103868655
N-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204688
4-bromo-N-(5-chloro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641233
4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 114839980
N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide
CID 107519991
4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 102979147
N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 60954488
4-amino-N-(5-bromo-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43805816

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide (CID 63257916) is N-(2-amino-5-methoxyphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide is COc1ccc(N)c(NC(=O)c2cc(Br)cn2C(C)C)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is GXZQAXKVOWWERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-9(2)19-8-10(16)6-14(19)15(20)18-13-7-11(21-3)4-5-12(13)17/h4-9H,17H2,1-3H3,(H,18,20).
What are the key properties of N-(2-amino-5-methoxyphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide?
N-(2-amino-5-methoxyphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 352.23 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 63257916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).