N-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide

C13H12BrClN2O — CID 62908256

IUPACN-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C13H12BrClN2O/c1-2-17-7-3-4-12(17)13(18)16-11-8-9(14)5-6-10(11)15/h3-8H,2H2,1H3,(H,16,18)
InChIKeyVHIBOOWAUSKFDE-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.18
Rot. Bonds3

About N-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide

N-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 62908256) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
PubChem CID62908256
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC NameN-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C13H12BrClN2O/c1-2-17-7-3-4-12(17)13(18)16-11-8-9(14)5-6-10(11)15/h3-8H,2H2,1H3,(H,16,18)
InChIKeyVHIBOOWAUSKFDE-UHFFFAOYSA-N
XLogP4.18
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609241
N-(5-bromo-2-chlorophenyl)-1-methylpyrrole-2-carboxamide
CID 55131675
N-(2-chloro-4-iodophenyl)-1-ethylpyrrole-2-carboxamide
CID 107606836
N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 107675583
4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034
3,6-dichloro-2-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid
CID 107047837
N-(5-bromo-2-methoxyphenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609230
5-bromo-2-chloro-N-[(1-ethylpyrrol-2-yl)methyl]aniline
CID 66445591
2-chloro-4-[(1-ethylpyrrole-2-carbonyl)amino]benzoic acid
CID 61398408
N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61400981
N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639461
1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 61400251

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide (CID 62908256) is N-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide is CCn1cccc1C(=O)Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is VHIBOOWAUSKFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-2-17-7-3-4-12(17)13(18)16-11-8-9(14)5-6-10(11)15/h3-8H,2H2,1H3,(H,16,18).
What are the key properties of N-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide?
N-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 327.61 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 62908256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).