4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide

C11H14BrF3N2O — CID 62728053

IUPAC4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C11H14BrF3N2O/c1-3-17-7-8(12)6-9(17)10(18)16(2)5-4-11(13,14)15/h6-7H,3-5H2,1-2H3
InChIKeyQHFYRWJUNPDKBA-UHFFFAOYSA-N
MW327.14 g/mol
LogP3.29
Rot. Bonds4

About 4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide

4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide (PubChem CID 62728053) has the molecular formula C11H14BrF3N2O and a molecular weight of 327.14 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
PubChem CID62728053
Molecular FormulaC11H14BrF3N2O
Molecular Weight327.14 g/mol
Exact Mass326.02
IUPAC Name4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C11H14BrF3N2O/c1-3-17-7-8(12)6-9(17)10(18)16(2)5-4-11(13,14)15/h6-7H,3-5H2,1-2H3
InChIKeyQHFYRWJUNPDKBA-UHFFFAOYSA-N
XLogP3.29
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N,N,1-triethylpyrrole-2-carboxamide
CID 43640587
4-bromo-1-ethyl-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrole-2-carboxamide
CID 54878062
4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 60955721
4-bromo-1-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide
CID 113248361
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802782
4-bromo-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide
CID 63274162
4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 60954367
4-bromo-N-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 60960132
4-bromo-N,N-bis(cyanomethyl)-1-ethylpyrrole-2-carboxamide
CID 43640915
4-amino-1-ethyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43643448
4-bromo-1-ethyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
CID 60956181
4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 60954823

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide (CID 62728053) is 4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)N(C)CCC(F)(F)F.
What is the InChIKey of 4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide?
The InChIKey is QHFYRWJUNPDKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF3N2O/c1-3-17-7-8(12)6-9(17)10(18)16(2)5-4-11(13,14)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide has a molecular weight of 327.14 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 62728053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).