4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide

C15H21BrN2O — CID 43641450

IUPAC4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C15H21BrN2O/c16-11-9-14(18(10-11)13-7-8-13)15(19)17-12-5-3-1-2-4-6-12/h9-10,12-13H,1-8H2,(H,17,19)
InChIKeyQHXPJXHIIXKKIJ-UHFFFAOYSA-N
MW325.25 g/mol
LogP4.04
Rot. Bonds3

About 4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide

4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 43641450) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide
PubChem CID43641450
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc(Br)cn1C1CC1
InChIInChI=1S/C15H21BrN2O/c16-11-9-14(18(10-11)13-7-8-13)15(19)17-12-5-3-1-2-4-6-12/h9-10,12-13H,1-8H2,(H,17,19)
InChIKeyQHXPJXHIIXKKIJ-UHFFFAOYSA-N
XLogP4.04
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640968
N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 66187704
4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide
CID 64734090
4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
CID 60954815
4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide
CID 64747843
4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 63524255
N-(2-amino-1-cyclohexylethyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 115309213
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 43640614
4-bromo-N-cyclobutyl-1-ethylpyrrole-2-carboxamide
CID 55211463
4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085
N-(1-amino-2-methylpropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 63193983
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid
CID 43640386

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide (CID 43641450) is 4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide is O=C(NC1CCCCCC1)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is QHXPJXHIIXKKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c16-11-9-14(18(10-11)13-7-8-13)15(19)17-12-5-3-1-2-4-6-12/h9-10,12-13H,1-8H2,(H,17,19).
What are the key properties of 4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide?
4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 43641450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).