4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide

C15H15BrF2N2O — CID 60955721

IUPAC4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C15H15BrF2N2O/c1-3-20-9-11(16)6-14(20)15(21)19(2)8-10-4-5-12(17)7-13(10)18/h4-7,9H,3,8H2,1-2H3
InChIKeyPNRXLDIDSJKODA-UHFFFAOYSA-N
MW357.20 g/mol
LogP3.82
Rot. Bonds4

About 4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide

4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide (PubChem CID 60955721) has the molecular formula C15H15BrF2N2O and a molecular weight of 357.20 g/mol. Its IUPAC name is 4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
PubChem CID60955721
Molecular FormulaC15H15BrF2N2O
Molecular Weight357.20 g/mol
Exact Mass356.03
IUPAC Name4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C15H15BrF2N2O/c1-3-20-9-11(16)6-14(20)15(21)19(2)8-10-4-5-12(17)7-13(10)18/h4-7,9H,3,8H2,1-2H3
InChIKeyPNRXLDIDSJKODA-UHFFFAOYSA-N
XLogP3.82
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 60960132
4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 60954367
4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 62728053
5-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 60725330
4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 60954823
4-bromo-N,N,1-triethylpyrrole-2-carboxamide
CID 43640587
N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide
CID 134053299
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 107074426
N-[(2-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide
CID 61416672
4-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 60959903

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide (CID 60955721) is 4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)N(C)Cc1ccc(F)cc1F.
What is the InChIKey of 4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide?
The InChIKey is PNRXLDIDSJKODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2O/c1-3-20-9-11(16)6-14(20)15(21)19(2)8-10-4-5-12(17)7-13(10)18/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide?
4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide has a molecular weight of 357.20 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60955721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).