4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide

C15H16BrN3O2 — CID 17470625

IUPAC4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C15H16BrN3O2/c1-2-10-5-3-4-6-12(10)19-14(20)9-18-15(21)13-7-11(16)8-17-13/h3-8,17H,2,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyQOQKPGHXAHGFKU-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.71
Rot. Bonds5

About 4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide (PubChem CID 17470625) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
PubChem CID17470625
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C15H16BrN3O2/c1-2-10-5-3-4-6-12(10)19-14(20)9-18-15(21)13-7-11(16)8-17-13/h3-8,17H,2,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyQOQKPGHXAHGFKU-UHFFFAOYSA-N
XLogP2.71
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide
CID 43410595
4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 26707249
3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 27762230
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
4-ethyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26678506
N-[2-(2-ethylanilino)-2-oxoethyl]naphthalene-2-carboxamide
CID 8699030
N-[2-(2-ethylanilino)-2-oxoethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 43046467
N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 27762316
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9386285
N-[2-(2-ethylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 27762226
N-[2-(2-ethylanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51262131
4-bromo-N-(2-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide
CID 47116125

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide (CID 17470625) is 4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide is CCc1ccccc1NC(=O)CNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is QOQKPGHXAHGFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-2-10-5-3-4-6-12(10)19-14(20)9-18-15(21)13-7-11(16)8-17-13/h3-8,17H,2,9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 350.22 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 17470625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).