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

C16H20BrN3O — CID 43639639

IUPAC4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
SMILESCCNCc1cccc(NC(=O)c2cc(Br)cn2CC)c1
InChIInChI=1S/C16H20BrN3O/c1-3-18-10-12-6-5-7-14(8-12)19-16(21)15-9-13(17)11-20(15)4-2/h5-9,11,18H,3-4,10H2,1-2H3,(H,19,21)
InChIKeyUIPGUEPWMZAPRZ-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.63
Rot. Bonds6

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

4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide (PubChem CID 43639639) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
PubChem CID43639639
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
SMILESCCNCc1cccc(NC(=O)c2cc(Br)cn2CC)c1
InChIInChI=1S/C16H20BrN3O/c1-3-18-10-12-6-5-7-14(8-12)19-16(21)15-9-13(17)11-20(15)4-2/h5-9,11,18H,3-4,10H2,1-2H3,(H,19,21)
InChIKeyUIPGUEPWMZAPRZ-UHFFFAOYSA-N
XLogP3.63
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641006
4-bromo-1-ethyl-N-[3-[(2-methoxyacetyl)amino]phenyl]pyrrole-2-carboxamide
CID 55823963
4-bromo-1-ethyl-N-[2-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide;hydrochloride
CID 119438837
2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 114374231
1-benzyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 113223648
3-bromo-N-[3-(ethylaminomethyl)phenyl]-5-fluorobenzamide
CID 43601129
4-bromo-N-[3-(ethylaminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43601282
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
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
3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66121147
2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide
CID 107983060

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide (CID 43639639) is 4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide is CCNCc1cccc(NC(=O)c2cc(Br)cn2CC)c1.
What is the InChIKey of 4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide?
The InChIKey is UIPGUEPWMZAPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-3-18-10-12-6-5-7-14(8-12)19-16(21)15-9-13(17)11-20(15)4-2/h5-9,11,18H,3-4,10H2,1-2H3,(H,19,21).
What are the key properties of 4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide has a molecular weight of 350.26 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 43639639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).