5-bromo-N-[3-(heptylamino)-3-oxopropyl]furan-2-carboxamide

C15H23BrN2O3 — CID 3670554

IUPAC5-bromo-N-[3-(heptylamino)-3-oxopropyl]furan-2-carboxamide
SMILESCCCCCCCNC(=O)CCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H23BrN2O3/c1-2-3-4-5-6-10-17-14(19)9-11-18-15(20)12-7-8-13(16)21-12/h7-8H,2-6,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyNMSXNHRFTBAUSD-UHFFFAOYSA-N
MW359.26 g/mol
LogP3.25
Rot. Bonds10

About 5-bromo-N-[3-(heptylamino)-3-oxopropyl]furan-2-carboxamide

5-bromo-N-[3-(heptylamino)-3-oxopropyl]furan-2-carboxamide (PubChem CID 3670554) has the molecular formula C15H23BrN2O3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 5-bromo-N-[3-(heptylamino)-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(heptylamino)-3-oxopropyl]furan-2-carboxamide
PubChem CID3670554
Molecular FormulaC15H23BrN2O3
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Name5-bromo-N-[3-(heptylamino)-3-oxopropyl]furan-2-carboxamide
SMILESCCCCCCCNC(=O)CCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H23BrN2O3/c1-2-3-4-5-6-10-17-14(19)9-11-18-15(20)12-7-8-13(16)21-12/h7-8H,2-6,9-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyNMSXNHRFTBAUSD-UHFFFAOYSA-N
XLogP3.25
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430
N-(3-amino-3-sulfanylidenepropyl)-5-bromofuran-2-carboxamide
CID 62665925
1-(5-bromofuran-2-yl)tridecan-1-one
CID 12603011
1-(5-bromofuran-2-yl)heptan-1-one
CID 114752198
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
5-bromo-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119505166
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide
CID 3237599
5-bromo-N-(3-cyclopropylpropyl)furan-2-carboxamide
CID 115635897
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(heptylamino)-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(heptylamino)-3-oxopropyl]furan-2-carboxamide (CID 3670554) is 5-bromo-N-[3-(heptylamino)-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(heptylamino)-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(heptylamino)-3-oxopropyl]furan-2-carboxamide is CCCCCCCNC(=O)CCNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[3-(heptylamino)-3-oxopropyl]furan-2-carboxamide?
The InChIKey is NMSXNHRFTBAUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3/c1-2-3-4-5-6-10-17-14(19)9-11-18-15(20)12-7-8-13(16)21-12/h7-8H,2-6,9-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N-[3-(heptylamino)-3-oxopropyl]furan-2-carboxamide?
5-bromo-N-[3-(heptylamino)-3-oxopropyl]furan-2-carboxamide has a molecular weight of 359.26 g/mol, XLogP of 3.25, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(heptylamino)-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 3670554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).