4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide

C14H21BrN2O — CID 61244506

IUPAC4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide
SMILESCCC1CCC(NC(=O)c2cc(Br)cn2C)CC1
InChIInChI=1S/C14H21BrN2O/c1-3-10-4-6-12(7-5-10)16-14(18)13-8-11(15)9-17(13)2/h8-10,12H,3-7H2,1-2H3,(H,16,18)
InChIKeyWEUFBZHBPDLBQS-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.49
Rot. Bonds3

About 4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide

4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide (PubChem CID 61244506) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide
PubChem CID61244506
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide
SMILESCCC1CCC(NC(=O)c2cc(Br)cn2C)CC1
InChIInChI=1S/C14H21BrN2O/c1-3-10-4-6-12(7-5-10)16-14(18)13-8-11(15)9-17(13)2/h8-10,12H,3-7H2,1-2H3,(H,16,18)
InChIKeyWEUFBZHBPDLBQS-UHFFFAOYSA-N
XLogP3.49
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 60932820
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N-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
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CID 62379331
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CID 79036256
4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide
CID 104578412
4-bromo-1-ethyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640965
4-bromo-1-methyl-N-(2-methylcyclopropyl)pyrrole-2-carboxamide
CID 62408030
4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide
CID 55211463
3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide
CID 113460730
N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide
CID 168679995
4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
CID 103954038

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide (CID 61244506) is 4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide is CCC1CCC(NC(=O)c2cc(Br)cn2C)CC1.
What is the InChIKey of 4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is WEUFBZHBPDLBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-3-10-4-6-12(7-5-10)16-14(18)13-8-11(15)9-17(13)2/h8-10,12H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 313.24 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 61244506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).