N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide

C14H14BrN3O3 — CID 60956273

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H14BrN3O3/c1-18-7-9(15)6-12(18)14(20)17-10-2-4-11(5-3-10)21-8-13(16)19/h2-7H,8H2,1H3,(H2,16,19)(H,17,20)
InChIKeyGMNIAYBNWAFRCB-UHFFFAOYSA-N
MW352.19 g/mol
LogP1.90
Rot. Bonds5

About N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide (PubChem CID 60956273) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide
PubChem CID60956273
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H14BrN3O3/c1-18-7-9(15)6-12(18)14(20)17-10-2-4-11(5-3-10)21-8-13(16)19/h2-7H,8H2,1H3,(H2,16,19)(H,17,20)
InChIKeyGMNIAYBNWAFRCB-UHFFFAOYSA-N
XLogP1.90
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43410991
4-bromo-1-methyl-N-(4-propylphenyl)pyrrole-2-carboxamide
CID 43410940
4-bromo-N-[4-(ethylcarbamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954402
4-bromo-1-methyl-N-[4-[(R)-methylsulfinyl]phenyl]pyrrole-2-carboxamide
CID 96565911
4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide
CID 24532941
4-bromo-N'-[2-(4-ethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 27036889
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-2-propan-2-yloxybenzamide
CID 60579665
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide
CID 103752263
4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 54867134
4-bromo-N-(3-iodo-4-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 60698312
methyl 5-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-chlorobenzoate
CID 60728863
4-bromo-N-(4-methoxyphenyl)-1-propylpyrrole-2-carboxamide
CID 43641190

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide (CID 60956273) is N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)Nc1ccc(OCC(N)=O)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide?
The InChIKey is GMNIAYBNWAFRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c1-18-7-9(15)6-12(18)14(20)17-10-2-4-11(5-3-10)21-8-13(16)19/h2-7H,8H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide has a molecular weight of 352.19 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60956273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).