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

C14H13BrCl2N2O — CID 60698328

IUPAC4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C14H13BrCl2N2O/c1-18-8-10(15)5-13(18)14(20)19(2)7-9-3-4-11(16)6-12(9)17/h3-6,8H,7H2,1-2H3
InChIKeyHPMBURGLKRDFHX-UHFFFAOYSA-N
MW376.08 g/mol
LogP4.37
Rot. Bonds3

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

4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 60698328) has the molecular formula C14H13BrCl2N2O and a molecular weight of 376.08 g/mol. Its IUPAC name is 4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID60698328
Molecular FormulaC14H13BrCl2N2O
Molecular Weight376.08 g/mol
Exact Mass373.96
IUPAC Name4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(Br)cn1C
InChIInChI=1S/C14H13BrCl2N2O/c1-18-8-10(15)5-13(18)14(20)19(2)7-9-3-4-11(16)6-12(9)17/h3-6,8H,7H2,1-2H3
InChIKeyHPMBURGLKRDFHX-UHFFFAOYSA-N
XLogP4.37
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.08
LogP ≤ 54.37
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
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-N-[(4-chlorophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 60959903
4-bromo-N-[3-(dimethylamino)propyl]-N,1-dimethylpyrrole-2-carboxamide
CID 63693703
N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 62847986
4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54978696
6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 9417730
4-bromo-N,1-dimethyl-N-[(3-nitrophenyl)methyl]pyrrole-2-carboxamide
CID 60955589
4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 79036710
N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N,1,3-trimethylpyrazole-4-carboxamide
CID 75370941

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide (CID 60698328) is 4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide is CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is HPMBURGLKRDFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2N2O/c1-18-8-10(15)5-13(18)14(20)19(2)7-9-3-4-11(16)6-12(9)17/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide?
4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 376.08 g/mol, XLogP of 4.37, 3 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]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 60698328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).