5-bromo-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide

C21H21BrN2O2 — CID 18589081

IUPAC5-bromo-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide
SMILESO=C(NCC(c1cccc2ccccc12)N1CCCC1)c1ccc(Br)o1
InChIInChI=1S/C21H21BrN2O2/c22-20-11-10-19(26-20)21(25)23-14-18(24-12-3-4-13-24)17-9-5-7-15-6-1-2-8-16(15)17/h1-2,5-11,18H,3-4,12-14H2,(H,23,25)
InChIKeyMJRRSNQOIVJKEO-UHFFFAOYSA-N
MW413.32 g/mol
LogP4.76
Rot. Bonds5

About 5-bromo-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide

5-bromo-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide (PubChem CID 18589081) has the molecular formula C21H21BrN2O2 and a molecular weight of 413.32 g/mol. Its IUPAC name is 5-bromo-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide
PubChem CID18589081
Molecular FormulaC21H21BrN2O2
Molecular Weight413.32 g/mol
Exact Mass412.08
IUPAC Name5-bromo-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide
SMILESO=C(NCC(c1cccc2ccccc12)N1CCCC1)c1ccc(Br)o1
InChIInChI=1S/C21H21BrN2O2/c22-20-11-10-19(26-20)21(25)23-14-18(24-12-3-4-13-24)17-9-5-7-15-6-1-2-8-16(15)17/h1-2,5-11,18H,3-4,12-14H2,(H,23,25)
InChIKeyMJRRSNQOIVJKEO-UHFFFAOYSA-N
XLogP4.76
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 744679
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CID 1739888
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CID 1744616
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CID 1027437
CID 1027437
CID 1042531
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CID 1292315
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CID 2987038
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CID 3246782
CID 3246782

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide (CID 18589081) is 5-bromo-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide is O=C(NCC(c1cccc2ccccc12)N1CCCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The InChIKey is MJRRSNQOIVJKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O2/c22-20-11-10-19(26-20)21(25)23-14-18(24-12-3-4-13-24)17-9-5-7-15-6-1-2-8-16(15)17/h1-2,5-11,18H,3-4,12-14H2,(H,23,25).
What are the key properties of 5-bromo-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
5-bromo-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide has a molecular weight of 413.32 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 18589081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).