5-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide

C16H19BrN2O3 — CID 26834735

IUPAC5-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
SMILESCc1ccc([C@H](CNC(=O)c2ccc(Br)o2)N2CCCC2)o1
InChIInChI=1S/C16H19BrN2O3/c1-11-4-5-13(21-11)12(19-8-2-3-9-19)10-18-16(20)14-6-7-15(17)22-14/h4-7,12H,2-3,8-10H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeySNHIRPQOZBUXFZ-LBPRGKRZSA-N
MW367.24 g/mol
LogP3.51
Rot. Bonds5

About 5-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide

5-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide (PubChem CID 26834735) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is 5-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
PubChem CID26834735
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC Name5-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
SMILESCc1ccc([C@H](CNC(=O)c2ccc(Br)o2)N2CCCC2)o1
InChIInChI=1S/C16H19BrN2O3/c1-11-4-5-13(21-11)12(19-8-2-3-9-19)10-18-16(20)14-6-7-15(17)22-14/h4-7,12H,2-3,8-10H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeySNHIRPQOZBUXFZ-LBPRGKRZSA-N
XLogP3.51
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide (CID 26834735) is 5-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide is Cc1ccc([C@H](CNC(=O)c2ccc(Br)o2)N2CCCC2)o1.
What is the InChIKey of 5-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?
The InChIKey is SNHIRPQOZBUXFZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c1-11-4-5-13(21-11)12(19-8-2-3-9-19)10-18-16(20)14-6-7-15(17)22-14/h4-7,12H,2-3,8-10H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 5-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?
5-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide has a molecular weight of 367.24 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 26834735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).