4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide

C15H15BrClFN2O — CID 60954367

IUPAC4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H15BrClFN2O/c1-3-20-8-10(16)7-14(20)15(21)19(2)9-11-12(17)5-4-6-13(11)18/h4-8H,3,9H2,1-2H3
InChIKeyZHNOLKSFKRHOIN-UHFFFAOYSA-N
MW373.65 g/mol
LogP4.34
Rot. Bonds4

About 4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide

4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide (PubChem CID 60954367) has the molecular formula C15H15BrClFN2O and a molecular weight of 373.65 g/mol. Its IUPAC name is 4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
PubChem CID60954367
Molecular FormulaC15H15BrClFN2O
Molecular Weight373.65 g/mol
Exact Mass372.00
IUPAC Name4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H15BrClFN2O/c1-3-20-8-10(16)7-14(20)15(21)19(2)9-11-12(17)5-4-6-13(11)18/h4-8H,3,9H2,1-2H3
InChIKeyZHNOLKSFKRHOIN-UHFFFAOYSA-N
XLogP4.34
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.65
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(2,4-difluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 60955721
4-bromo-N-[(2,4-dichlorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide
CID 60960132
3-bromo-5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbenzamide
CID 107951759
3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 104852084
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 60954823
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 107982395
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
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103753872
4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 61114856
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 62074845

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide (CID 60954367) is 4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of 4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide?
The InChIKey is ZHNOLKSFKRHOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClFN2O/c1-3-20-8-10(16)7-14(20)15(21)19(2)9-11-12(17)5-4-6-13(11)18/h4-8H,3,9H2,1-2H3.
What are the key properties of 4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide?
4-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide has a molecular weight of 373.65 g/mol, XLogP of 4.34, 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-chloro-6-fluorophenyl)methyl]-1-ethyl-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60954367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).