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

C16H25BrN2O2 — CID 65123856

IUPAC4-bromo-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
SMILESCCC1CCC(O)(CNC(=O)c2cc(Br)cn2CC)CC1
InChIInChI=1S/C16H25BrN2O2/c1-3-12-5-7-16(21,8-6-12)11-18-15(20)14-9-13(17)10-19(14)4-2/h9-10,12,21H,3-8,11H2,1-2H3,(H,18,20)
InChIKeyCVVOGGFXHPYKKP-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.33
Rot. Bonds5

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

4-bromo-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide (PubChem CID 65123856) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
PubChem CID65123856
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name4-bromo-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
SMILESCCC1CCC(O)(CNC(=O)c2cc(Br)cn2CC)CC1
InChIInChI=1S/C16H25BrN2O2/c1-3-12-5-7-16(21,8-6-12)11-18-15(20)14-9-13(17)10-19(14)4-2/h9-10,12,21H,3-8,11H2,1-2H3,(H,18,20)
InChIKeyCVVOGGFXHPYKKP-UHFFFAOYSA-N
XLogP3.33
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 65124177
4-bromo-1-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrole-2-carboxamide
CID 103737464
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124189
4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 65119775
4-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 81130387
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 65124237
4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
CID 103799996
4-[[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438522
4-bromo-2-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65123585
4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide
CID 66005799
4-bromo-N-(3-cyclopentylpropyl)-1-ethylpyrrole-2-carboxamide
CID 106012286
4-bromo-1-ethyl-N-(2-ethylcyclohexyl)pyrrole-2-carboxamide
CID 55222795

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide (CID 65123856) is 4-bromo-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide is CCC1CCC(O)(CNC(=O)c2cc(Br)cn2CC)CC1.
What is the InChIKey of 4-bromo-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide?
The InChIKey is CVVOGGFXHPYKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-3-12-5-7-16(21,8-6-12)11-18-15(20)14-9-13(17)10-19(14)4-2/h9-10,12,21H,3-8,11H2,1-2H3,(H,18,20).
What are the key properties of 4-bromo-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide has a molecular weight of 357.29 g/mol, XLogP of 3.33, 5 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-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 65123856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).