4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide

C13H12BrClN2O — CID 43641006

IUPAC4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H12BrClN2O/c1-2-17-8-9(14)6-12(17)13(18)16-11-5-3-4-10(15)7-11/h3-8H,2H2,1H3,(H,16,18)
InChIKeyFKDGYOJZMJJTTC-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.18
Rot. Bonds3

About 4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide

4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 43641006) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide
PubChem CID43641006
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H12BrClN2O/c1-2-17-8-9(14)6-12(17)13(18)16-11-5-3-4-10(15)7-11/h3-8H,2H2,1H3,(H,16,18)
InChIKeyFKDGYOJZMJJTTC-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

4-bromo-1-ethyl-N-[3-(ethylaminomethyl)phenyl]pyrrole-2-carboxamide
CID 43639639
4-bromo-1-ethyl-N-[3-[(2-methoxyacetyl)amino]phenyl]pyrrole-2-carboxamide
CID 55823963
4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 107300902
4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034
N-(3-amino-4-fluorophenyl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 63257043
4-bromo-N-(3-carbamoyl-4-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 60955301
4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide
CID 43640826
N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 107583826
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
4-bromo-N-[4-(difluoromethylsulfanyl)phenyl]-1-ethylpyrrole-2-carboxamide
CID 60955535
4-bromo-1-ethyl-N-(2-propylphenyl)pyrrole-2-carboxamide
CID 60955987
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-6-fluorobenzoic acid
CID 43639581

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide (CID 43641006) is 4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is FKDGYOJZMJJTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-2-17-8-9(14)6-12(17)13(18)16-11-5-3-4-10(15)7-11/h3-8H,2H2,1H3,(H,16,18).
What are the key properties of 4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide?
4-bromo-N-(3-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 4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 43641006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).