4,5-dichloro-N-(3,5-dimethylphenyl)-N-ethyl-1H-pyrrole-2-carboxamide

C15H16Cl2N2O — CID 78861424

IUPAC4,5-dichloro-N-(3,5-dimethylphenyl)-N-ethyl-1H-pyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(Cl)c(Cl)[nH]1)c1cc(C)cc(C)c1
InChIInChI=1S/C15H16Cl2N2O/c1-4-19(11-6-9(2)5-10(3)7-11)15(20)13-8-12(16)14(17)18-13/h5-8,18H,4H2,1-3H3
InChIKeyXWSZFPNXMANTMW-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.61
Rot. Bonds3

About 4,5-dichloro-N-(3,5-dimethylphenyl)-N-ethyl-1H-pyrrole-2-carboxamide

4,5-dichloro-N-(3,5-dimethylphenyl)-N-ethyl-1H-pyrrole-2-carboxamide (PubChem CID 78861424) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 4,5-dichloro-N-(3,5-dimethylphenyl)-N-ethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(3,5-dimethylphenyl)-N-ethyl-1H-pyrrole-2-carboxamide
PubChem CID78861424
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name4,5-dichloro-N-(3,5-dimethylphenyl)-N-ethyl-1H-pyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(Cl)c(Cl)[nH]1)c1cc(C)cc(C)c1
InChIInChI=1S/C15H16Cl2N2O/c1-4-19(11-6-9(2)5-10(3)7-11)15(20)13-8-12(16)14(17)18-13/h5-8,18H,4H2,1-3H3
InChIKeyXWSZFPNXMANTMW-UHFFFAOYSA-N
XLogP4.61
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,5-dimethylphenyl)-N-ethylbenzamide
CID 52574489
4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
CID 78853144
4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106608927
methyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952949
N-ethyl-N-(3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 110865006
N-(3,5-dimethylphenyl)-N-ethyl-2-phenylacetamide
CID 55592045
2-methoxyethyl 5-[(3,5-dimethylphenyl)-ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55760438
propyl 4,5-dichloro-1H-pyrrole-2-carboxylate
CID 78846725
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide
CID 55925267
N-ethyl-N-phenyl-1H-indole-2-carboxamide
CID 43398536
N-(2-amino-2-ethylbutyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 81484379

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(3,5-dimethylphenyl)-N-ethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(3,5-dimethylphenyl)-N-ethyl-1H-pyrrole-2-carboxamide (CID 78861424) is 4,5-dichloro-N-(3,5-dimethylphenyl)-N-ethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(3,5-dimethylphenyl)-N-ethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(3,5-dimethylphenyl)-N-ethyl-1H-pyrrole-2-carboxamide is CCN(C(=O)c1cc(Cl)c(Cl)[nH]1)c1cc(C)cc(C)c1.
What is the InChIKey of 4,5-dichloro-N-(3,5-dimethylphenyl)-N-ethyl-1H-pyrrole-2-carboxamide?
The InChIKey is XWSZFPNXMANTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-4-19(11-6-9(2)5-10(3)7-11)15(20)13-8-12(16)14(17)18-13/h5-8,18H,4H2,1-3H3.
What are the key properties of 4,5-dichloro-N-(3,5-dimethylphenyl)-N-ethyl-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-(3,5-dimethylphenyl)-N-ethyl-1H-pyrrole-2-carboxamide has a molecular weight of 311.21 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(3,5-dimethylphenyl)-N-ethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 78861424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).