4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide

C14H21BrN2O2 — CID 103799996

IUPAC4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NCC1(CCOC)CC1
InChIInChI=1S/C14H21BrN2O2/c1-3-17-9-11(15)8-12(17)13(18)16-10-14(4-5-14)6-7-19-2/h8-9H,3-7,10H2,1-2H3,(H,16,18)
InChIKeySHKNHNPFNMLGBY-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.82
Rot. Bonds7

About 4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide

4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide (PubChem CID 103799996) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
PubChem CID103799996
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NCC1(CCOC)CC1
InChIInChI=1S/C14H21BrN2O2/c1-3-17-9-11(15)8-12(17)13(18)16-10-14(4-5-14)6-7-19-2/h8-9H,3-7,10H2,1-2H3,(H,16,18)
InChIKeySHKNHNPFNMLGBY-UHFFFAOYSA-N
XLogP2.82
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrole-2-carboxamide
CID 103737464
4-bromo-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 65123856
4-[[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438522
4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propylpyrrole-2-carboxamide
CID 115360482
5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide
CID 103800048
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 102978738
4,5-dibromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 103800012
4-bromo-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83031512
4-bromo-N-(2,2-dimethylbutyl)-1-ethylpyrrole-2-carboxamide
CID 103461921
4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide
CID 66005799
3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 103800054

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide (CID 103799996) is 4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)NCC1(CCOC)CC1.
What is the InChIKey of 4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide?
The InChIKey is SHKNHNPFNMLGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-3-17-9-11(15)8-12(17)13(18)16-10-14(4-5-14)6-7-19-2/h8-9H,3-7,10H2,1-2H3,(H,16,18).
What are the key properties of 4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide has a molecular weight of 329.24 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 103799996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).