2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide

C13H17BrN2O2 — CID 106855243

IUPAC2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
SMILESO=C(c1ccoc1Br)N(CC1CCCN1)C1CC1
InChIInChI=1S/C13H17BrN2O2/c14-12-11(5-7-18-12)13(17)16(10-3-4-10)8-9-2-1-6-15-9/h5,7,9-10,15H,1-4,6,8H2
InChIKeyLECMMMBEPMIJGT-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.40
Rot. Bonds4

About 2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide

2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide (PubChem CID 106855243) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
PubChem CID106855243
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
SMILESO=C(c1ccoc1Br)N(CC1CCCN1)C1CC1
InChIInChI=1S/C13H17BrN2O2/c14-12-11(5-7-18-12)13(17)16(10-3-4-10)8-9-2-1-6-15-9/h5,7,9-10,15H,1-4,6,8H2
InChIKeyLECMMMBEPMIJGT-UHFFFAOYSA-N
XLogP2.40
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107983259
2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide
CID 106854213
5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide
CID 106626893
2-chloro-N-cyclopropyl-5-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106599315
2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide
CID 106852142
5-chloro-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 104974058
2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106688645
N-cyclopropyl-2,5-dihydroxy-N-(piperidin-2-ylmethyl)benzamide
CID 107725344
2-(4-bromophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974020
N-cyclopropyl-6-oxo-N-(piperidin-2-ylmethyl)pyran-3-carboxamide
CID 106627073
2-bromo-N-methyl-N-piperidin-4-ylfuran-3-carboxamide
CID 106855036
N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974197

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide (CID 106855243) is 2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide is O=C(c1ccoc1Br)N(CC1CCCN1)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide?
The InChIKey is LECMMMBEPMIJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-12-11(5-7-18-12)13(17)16(10-3-4-10)8-9-2-1-6-15-9/h5,7,9-10,15H,1-4,6,8H2.
What are the key properties of 2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide?
2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide has a molecular weight of 313.19 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 106855243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).