4-bromo-1-cyclopropyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrrole-2-carboxamide

C15H21BrN2O3 — CID 114949567

IUPAC4-bromo-1-cyclopropyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrrole-2-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C15H21BrN2O3/c1-17(10-15(20)4-6-21-7-5-15)14(19)13-8-11(16)9-18(13)12-2-3-12/h8-9,12,20H,2-7,10H2,1H3
InChIKeyJHDFFKKPKBIKKM-UHFFFAOYSA-N
MW357.25 g/mol
LogP2.20
Rot. Bonds4

About 4-bromo-1-cyclopropyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrrole-2-carboxamide (PubChem CID 114949567) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrrole-2-carboxamide
PubChem CID114949567
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name4-bromo-1-cyclopropyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrrole-2-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C15H21BrN2O3/c1-17(10-15(20)4-6-21-7-5-15)14(19)13-8-11(16)9-18(13)12-2-3-12/h8-9,12,20H,2-7,10H2,1H3
InChIKeyJHDFFKKPKBIKKM-UHFFFAOYSA-N
XLogP2.20
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrole-2-carboxamide
CID 114949558
4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43641522
N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 115318950
4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
CID 60954319
4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 60954974
4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 60960256
4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 60955272
3-bromo-5-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 105336754
4-bromo-1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-2-carboxamide
CID 79318654
4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide
CID 106915735
N-[(4-hydroxyoxan-4-yl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 114951367
4-bromo-1-cyclopropyl-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-2-carboxamide
CID 82738456

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrrole-2-carboxamide (CID 114949567) is 4-bromo-1-cyclopropyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrrole-2-carboxamide is CN(CC1(O)CCOCC1)C(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrrole-2-carboxamide?
The InChIKey is JHDFFKKPKBIKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-17(10-15(20)4-6-21-7-5-15)14(19)13-8-11(16)9-18(13)12-2-3-12/h8-9,12,20H,2-7,10H2,1H3.
What are the key properties of 4-bromo-1-cyclopropyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrrole-2-carboxamide has a molecular weight of 357.25 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 114949567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).