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

C14H22BrN3O2 — CID 106612791

IUPAC4-bromo-1-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(CCO)CC1CCCN1
InChIInChI=1S/C14H22BrN3O2/c1-2-17-9-11(15)8-13(17)14(20)18(6-7-19)10-12-4-3-5-16-12/h8-9,12,16,19H,2-7,10H2,1H3
InChIKeyHFIREVVCPCHWQC-UHFFFAOYSA-N
MW344.25 g/mol
LogP1.46
Rot. Bonds6

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

4-bromo-1-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 106612791) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID106612791
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name4-bromo-1-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(CCO)CC1CCCN1
InChIInChI=1S/C14H22BrN3O2/c1-2-17-9-11(15)8-13(17)14(20)18(6-7-19)10-12-4-3-5-16-12/h8-9,12,16,19H,2-7,10H2,1H3
InChIKeyHFIREVVCPCHWQC-UHFFFAOYSA-N
XLogP1.46
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-hydroxyethyl)-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106612792
2-ethyl-N-(2-hydroxyethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide
CID 106612708
4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119510103
5-bromo-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 107963789
4-bromo-N,N,1-triethylpyrrole-2-carboxamide
CID 43640587
4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 60955764
4-chloro-1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106609823
2,5-dihydroxy-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107725339
4-bromo-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 60955728
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246
4-chloro-N-(2-hydroxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612493
2-hydroxy-N-(2-hydroxyethyl)-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107732251

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide (CID 106612791) is 4-bromo-1-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)N(CCO)CC1CCCN1.
What is the InChIKey of 4-bromo-1-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is HFIREVVCPCHWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-2-17-9-11(15)8-13(17)14(20)18(6-7-19)10-12-4-3-5-16-12/h8-9,12,16,19H,2-7,10H2,1H3.
What are the key properties of 4-bromo-1-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 344.25 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 106612791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).