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

C15H15BrCl2N2O — CID 60960132

IUPAC4-bromo-N-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15BrCl2N2O/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
InChIKeyNAGQRCUBEBWELQ-UHFFFAOYSA-N
MW390.11 g/mol
LogP4.85
Rot. Bonds4

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

4-bromo-N-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide (PubChem CID 60960132) has the molecular formula C15H15BrCl2N2O and a molecular weight of 390.11 g/mol. Its IUPAC name is 4-bromo-N-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
PubChem CID60960132
Molecular FormulaC15H15BrCl2N2O
Molecular Weight390.11 g/mol
Exact Mass387.97
IUPAC Name4-bromo-N-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15BrCl2N2O/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
InChIKeyNAGQRCUBEBWELQ-UHFFFAOYSA-N
XLogP4.85
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.11
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 60698328
4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 60955721
4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 60954367
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
N-[(4-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide
CID 61415216
3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 61117248
3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 60775674
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 60954823
4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 62728053
4-bromo-N,N,1-triethylpyrrole-2-carboxamide
CID 43640587

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide (CID 60960132) is 4-bromo-N-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)N(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-bromo-N-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide?
The InChIKey is NAGQRCUBEBWELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrCl2N2O/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-dichlorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide?
4-bromo-N-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide has a molecular weight of 390.11 g/mol, XLogP of 4.85, 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-dichlorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60960132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).