4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide

C12H17BrN2O — CID 107413497

IUPAC4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC1CCC(CNC(=O)c2cc(Br)c[nH]2)C1
InChIInChI=1S/C12H17BrN2O/c1-8-2-3-9(4-8)6-15-12(16)11-5-10(13)7-14-11/h5,7-9,14H,2-4,6H2,1H3,(H,15,16)
InChIKeyNRMHLCSFIXNWPP-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.94
Rot. Bonds3

About 4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 107413497) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID107413497
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC1CCC(CNC(=O)c2cc(Br)c[nH]2)C1
InChIInChI=1S/C12H17BrN2O/c1-8-2-3-9(4-8)6-15-12(16)11-5-10(13)7-14-11/h5,7-9,14H,2-4,6H2,1H3,(H,15,16)
InChIKeyNRMHLCSFIXNWPP-UHFFFAOYSA-N
XLogP2.94
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
CID 107410962
4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 93318154
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71879932
4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide
CID 115637079
4-bromo-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 64913420
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 115600313
4-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1H-pyrrole-2-carboxamide
CID 47940069
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 65124237
4-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 103800559
4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 65111935
4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 47116194
5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide
CID 107413499

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide (CID 107413497) is 4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide is CC1CCC(CNC(=O)c2cc(Br)c[nH]2)C1.
What is the InChIKey of 4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is NRMHLCSFIXNWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8-2-3-9(4-8)6-15-12(16)11-5-10(13)7-14-11/h5,7-9,14H,2-4,6H2,1H3,(H,15,16).
What are the key properties of 4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 285.18 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 107413497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).