6-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide

C20H19BrN2O4 — CID 43843758

IUPAC6-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1cc(=O)c2cc(Br)ccc2o1
InChIInChI=1S/C20H19BrN2O4/c21-13-5-6-17-14(10-13)16(24)11-19(27-17)20(25)22-12-15(18-4-3-9-26-18)23-7-1-2-8-23/h3-6,9-11,15H,1-2,7-8,12H2,(H,22,25)
InChIKeyWNMWXEVWBYXTEA-UHFFFAOYSA-N
MW431.29 g/mol
LogP3.72
Rot. Bonds5

About 6-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide

6-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide (PubChem CID 43843758) has the molecular formula C20H19BrN2O4 and a molecular weight of 431.29 g/mol. Its IUPAC name is 6-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
PubChem CID43843758
Molecular FormulaC20H19BrN2O4
Molecular Weight431.29 g/mol
Exact Mass430.05
IUPAC Name6-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1cc(=O)c2cc(Br)ccc2o1
InChIInChI=1S/C20H19BrN2O4/c21-13-5-6-17-14(10-13)16(24)11-19(27-17)20(25)22-12-15(18-4-3-9-26-18)23-7-1-2-8-23/h3-6,9-11,15H,1-2,7-8,12H2,(H,22,25)
InChIKeyWNMWXEVWBYXTEA-UHFFFAOYSA-N
XLogP3.72
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 26834088
6-ethyl-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 22509494
5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 4807750
6-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-4-oxochromene-2-carboxamide
CID 45155279
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 2571311
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 43843785
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-7-bromo-4-oxochromene-2-carboxamide
CID 35575728
7-bromo-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35575863
6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide
CID 45155475
6-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 45132876
6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 22509651

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 6-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide (CID 43843758) is 6-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide is O=C(NCC(c1ccco1)N1CCCC1)c1cc(=O)c2cc(Br)ccc2o1.
What is the InChIKey of 6-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide?
The InChIKey is WNMWXEVWBYXTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O4/c21-13-5-6-17-14(10-13)16(24)11-19(27-17)20(25)22-12-15(18-4-3-9-26-18)23-7-1-2-8-23/h3-6,9-11,15H,1-2,7-8,12H2,(H,22,25).
What are the key properties of 6-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide?
6-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide has a molecular weight of 431.29 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 43843758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).