N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide

C15H16BrN3O2 — CID 24979961

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)c1cccn1C
InChIInChI=1S/C15H16BrN3O2/c1-18-9-5-8-13(18)15(21)19(2)10-14(20)17-12-7-4-3-6-11(12)16/h3-9H,10H2,1-2H3,(H,17,20)
InChIKeyUTHFUULLBUYXCV-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.50
Rot. Bonds4

About N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide

N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 24979961) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID24979961
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)c1cccn1C
InChIInChI=1S/C15H16BrN3O2/c1-18-9-5-8-13(18)15(21)19(2)10-14(20)17-12-7-4-3-6-11(12)16/h3-9H,10H2,1-2H3,(H,17,20)
InChIKeyUTHFUULLBUYXCV-UHFFFAOYSA-N
XLogP2.50
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide (CID 24979961) is N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide is CN(CC(=O)Nc1ccccc1Br)C(=O)c1cccn1C.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is UTHFUULLBUYXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-18-9-5-8-13(18)15(21)19(2)10-14(20)17-12-7-4-3-6-11(12)16/h3-9H,10H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 350.22 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 24979961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).