4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride

C12H19BrClN3O — CID 119510103

IUPAC4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
SMILESCCn1cc(Br)cc1C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C12H18BrN3O.ClH/c1-2-16-8-9(13)6-11(16)12(17)15-7-10-4-3-5-14-10;/h6,8,10,14H,2-5,7H2,1H3,(H,15,17);1H
InChIKeyCMFPETAYOYHYDN-UHFFFAOYSA-N
MW336.66 g/mol
LogP2.17
Rot. Bonds4

About 4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride

4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride (PubChem CID 119510103) has the molecular formula C12H19BrClN3O and a molecular weight of 336.66 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
PubChem CID119510103
Molecular FormulaC12H19BrClN3O
Molecular Weight336.66 g/mol
Exact Mass335.04
IUPAC Name4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
SMILESCCn1cc(Br)cc1C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C12H18BrN3O.ClH/c1-2-16-8-9(13)6-11(16)12(17)15-7-10-4-3-5-14-10;/h6,8,10,14H,2-5,7H2,1H3,(H,15,17);1H
InChIKeyCMFPETAYOYHYDN-UHFFFAOYSA-N
XLogP2.17
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.66
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 62541107
4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971697
4-bromo-1-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106612791
4-bromo-1-ethyl-N-piperidin-3-ylpyrrole-2-carboxamide;hydrochloride
CID 119424531
4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide
CID 66005799
4-bromo-1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104955320
4-bromo-1-ethyl-N-(2-oxopiperidin-3-yl)pyrrole-2-carboxamide
CID 62093648
4-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-1-ethylpyrrole-2-carboxamide
CID 54914323
4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide
CID 106012286
4-bromo-1-ethyl-N-(1-piperidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride
CID 119473923
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 66122699

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride (CID 119510103) is 4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride is CCn1cc(Br)cc1C(=O)NCC1CCCN1.Cl.
What is the InChIKey of 4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
The InChIKey is CMFPETAYOYHYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O.ClH/c1-2-16-8-9(13)6-11(16)12(17)15-7-10-4-3-5-14-10;/h6,8,10,14H,2-5,7H2,1H3,(H,15,17);1H.
What are the key properties of 4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride?
4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride has a molecular weight of 336.66 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119510103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).