4-bromo-1-ethyl-N-[3-[(2-methoxyacetyl)amino]phenyl]pyrrole-2-carboxamide

C16H18BrN3O3 — CID 55823963

IUPAC4-bromo-1-ethyl-N-[3-[(2-methoxyacetyl)amino]phenyl]pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1cccc(NC(=O)COC)c1
InChIInChI=1S/C16H18BrN3O3/c1-3-20-9-11(17)7-14(20)16(22)19-13-6-4-5-12(8-13)18-15(21)10-23-2/h4-9H,3,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyIJULKEPDCDSZQO-UHFFFAOYSA-N
MW380.24 g/mol
LogP3.11
Rot. Bonds6

About 4-bromo-1-ethyl-N-[3-[(2-methoxyacetyl)amino]phenyl]pyrrole-2-carboxamide

4-bromo-1-ethyl-N-[3-[(2-methoxyacetyl)amino]phenyl]pyrrole-2-carboxamide (PubChem CID 55823963) has the molecular formula C16H18BrN3O3 and a molecular weight of 380.24 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-[3-[(2-methoxyacetyl)amino]phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-[3-[(2-methoxyacetyl)amino]phenyl]pyrrole-2-carboxamide
PubChem CID55823963
Molecular FormulaC16H18BrN3O3
Molecular Weight380.24 g/mol
Exact Mass379.05
IUPAC Name4-bromo-1-ethyl-N-[3-[(2-methoxyacetyl)amino]phenyl]pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1cccc(NC(=O)COC)c1
InChIInChI=1S/C16H18BrN3O3/c1-3-20-9-11(17)7-14(20)16(22)19-13-6-4-5-12(8-13)18-15(21)10-23-2/h4-9H,3,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyIJULKEPDCDSZQO-UHFFFAOYSA-N
XLogP3.11
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641006
4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 43639639
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 107300902
4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide
CID 43640826
N-(3-amino-4-fluorophenyl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 63257043
5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide
CID 39862378
4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 60955301
4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034
N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43713051
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
2-(ethylamino)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylpropanamide
CID 62833409
4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide
CID 60955535

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-[3-[(2-methoxyacetyl)amino]phenyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-[3-[(2-methoxyacetyl)amino]phenyl]pyrrole-2-carboxamide (CID 55823963) is 4-bromo-1-ethyl-N-[3-[(2-methoxyacetyl)amino]phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-[3-[(2-methoxyacetyl)amino]phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-[3-[(2-methoxyacetyl)amino]phenyl]pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)Nc1cccc(NC(=O)COC)c1.
What is the InChIKey of 4-bromo-1-ethyl-N-[3-[(2-methoxyacetyl)amino]phenyl]pyrrole-2-carboxamide?
The InChIKey is IJULKEPDCDSZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3/c1-3-20-9-11(17)7-14(20)16(22)19-13-6-4-5-12(8-13)18-15(21)10-23-2/h4-9H,3,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 4-bromo-1-ethyl-N-[3-[(2-methoxyacetyl)amino]phenyl]pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-[3-[(2-methoxyacetyl)amino]phenyl]pyrrole-2-carboxamide has a molecular weight of 380.24 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-[3-[(2-methoxyacetyl)amino]phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 55823963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).