2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide

C10H15BrN2O2 — CID 106852493

IUPAC2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccoc1Br
InChIInChI=1S/C10H15BrN2O2/c1-13(2)6-3-5-12-10(14)8-4-7-15-9(8)11/h4,7H,3,5-6H2,1-2H3,(H,12,14)
InChIKeyATHGREVIUDSCKE-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.72
Rot. Bonds5

About 2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide

2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide (PubChem CID 106852493) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide
PubChem CID106852493
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccoc1Br
InChIInChI=1S/C10H15BrN2O2/c1-13(2)6-3-5-12-10(14)8-4-7-15-9(8)11/h4,7H,3,5-6H2,1-2H3,(H,12,14)
InChIKeyATHGREVIUDSCKE-UHFFFAOYSA-N
XLogP1.72
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-iodopropyl)furan-3-carboxamide
CID 106856228
N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide
CID 106852672
N-(5-amino-5-oxopentyl)-2-bromofuran-3-carboxamide
CID 106899036
2-bromo-N-(3-bromopentyl)furan-3-carboxamide
CID 106856213
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
2-bromo-N-(2-pyrrol-1-ylethyl)furan-3-carboxamide
CID 106898976
N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide
CID 106850800
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
N-[3-(dimethylamino)propyl]-2,4,5-trimethylbenzamide
CID 95970652

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide (CID 106852493) is 2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide is CN(C)CCCNC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide?
The InChIKey is ATHGREVIUDSCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-13(2)6-3-5-12-10(14)8-4-7-15-9(8)11/h4,7H,3,5-6H2,1-2H3,(H,12,14).
What are the key properties of 2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide?
2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide has a molecular weight of 275.15 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide is sourced from PubChem (CID 106852493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).