4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide

C14H21BrN2O2 — CID 65119775

IUPAC4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCC1CCC(O)(CNC(=O)c2cc(Br)cn2C)CC1
InChIInChI=1S/C14H21BrN2O2/c1-10-3-5-14(19,6-4-10)9-16-13(18)12-7-11(15)8-17(12)2/h7-8,10,19H,3-6,9H2,1-2H3,(H,16,18)
InChIKeyYMKAQJMFDQDLSO-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.46
Rot. Bonds3

About 4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide

4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 65119775) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
PubChem CID65119775
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCC1CCC(O)(CNC(=O)c2cc(Br)cn2C)CC1
InChIInChI=1S/C14H21BrN2O2/c1-10-3-5-14(19,6-4-10)9-16-13(18)12-7-11(15)8-17(12)2/h7-8,10,19H,3-6,9H2,1-2H3,(H,16,18)
InChIKeyYMKAQJMFDQDLSO-UHFFFAOYSA-N
XLogP2.46
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 103722169
4-bromo-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 65123856
4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methylpyrrole-2-carboxamide
CID 105418231
4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119782
4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 65117737
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 65120092
2,5-dibromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-3-carboxamide
CID 107962266
4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide
CID 65104236
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 65119021
4-bromo-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
CID 63294689
4-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 81130387
4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119060

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide (CID 65119775) is 4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide is CC1CCC(O)(CNC(=O)c2cc(Br)cn2C)CC1.
What is the InChIKey of 4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is YMKAQJMFDQDLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-10-3-5-14(19,6-4-10)9-16-13(18)12-7-11(15)8-17(12)2/h7-8,10,19H,3-6,9H2,1-2H3,(H,16,18).
What are the key properties of 4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide?
4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 329.24 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 65119775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).