4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide

C12H17Cl2N3O — CID 106608927

IUPAC4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCCN(CC1CCCN1)C(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C12H17Cl2N3O/c1-2-17(7-8-4-3-5-15-8)12(18)10-6-9(13)11(14)16-10/h6,8,15-16H,2-5,7H2,1H3
InChIKeyHIKRVJJIVXSHKN-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.54
Rot. Bonds4

About 4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide

4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 106608927) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is 4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID106608927
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCCN(CC1CCCN1)C(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C12H17Cl2N3O/c1-2-17(7-8-4-3-5-15-8)12(18)10-6-9(13)11(14)16-10/h6,8,15-16H,2-5,7H2,1H3
InChIKeyHIKRVJJIVXSHKN-UHFFFAOYSA-N
XLogP2.54
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609221
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
N-ethyl-5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106609023
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417
5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106609136
2-chloro-N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609343
5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609149
4,5-dichloro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 79720994
N-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
CID 106609110
4-chloro-N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106626232

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 106608927) is 4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide is CCN(CC1CCCN1)C(=O)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is HIKRVJJIVXSHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O/c1-2-17(7-8-4-3-5-15-8)12(18)10-6-9(13)11(14)16-10/h6,8,15-16H,2-5,7H2,1H3.
What are the key properties of 4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 290.19 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 106608927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).