N-(5-bromopentyl)-5-nitrofuran-2-carboxamide

C10H13BrN2O4 — CID 107321741

IUPACN-(5-bromopentyl)-5-nitrofuran-2-carboxamide
SMILESO=C(NCCCCCBr)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H13BrN2O4/c11-6-2-1-3-7-12-10(14)8-4-5-9(17-8)13(15)16/h4-5H,1-3,6-7H2,(H,12,14)
InChIKeyLCRNRENPPDTGHI-UHFFFAOYSA-N
MW305.13 g/mol
LogP2.48
Rot. Bonds7

About N-(5-bromopentyl)-5-nitrofuran-2-carboxamide

N-(5-bromopentyl)-5-nitrofuran-2-carboxamide (PubChem CID 107321741) has the molecular formula C10H13BrN2O4 and a molecular weight of 305.13 g/mol. Its IUPAC name is N-(5-bromopentyl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-5-nitrofuran-2-carboxamide
PubChem CID107321741
Molecular FormulaC10H13BrN2O4
Molecular Weight305.13 g/mol
Exact Mass304.01
IUPAC NameN-(5-bromopentyl)-5-nitrofuran-2-carboxamide
SMILESO=C(NCCCCCBr)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H13BrN2O4/c11-6-2-1-3-7-12-10(14)8-4-5-9(17-8)13(15)16/h4-5H,1-3,6-7H2,(H,12,14)
InChIKeyLCRNRENPPDTGHI-UHFFFAOYSA-N
XLogP2.48
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide
CID 103919565
N-(3-aminopropyl)-5-nitrofuran-2-carboxamide
CID 24697621
N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133
N-[2-(methylamino)ethyl]-5-nitrofuran-2-carboxamide
CID 62658342
5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide
CID 61129714
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
CID 2079408
N-[3-(cyclopropylmethoxy)propyl]-5-nitrofuran-2-carboxamide
CID 47117300
2-hydroxy-4-[(5-nitrofuran-2-carbonyl)amino]butanoic acid
CID 114006197
5-nitro-N-[2-(4-nitroanilino)ethyl]furan-2-carboxamide
CID 26445857
N-(4-bromo-2-ethylbutyl)-5-nitrofuran-2-carboxamide
CID 113276420
N-[(4-chlorophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146050
5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide
CID 112759087

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(5-bromopentyl)-5-nitrofuran-2-carboxamide (CID 107321741) is N-(5-bromopentyl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(5-bromopentyl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(5-bromopentyl)-5-nitrofuran-2-carboxamide is O=C(NCCCCCBr)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(5-bromopentyl)-5-nitrofuran-2-carboxamide?
The InChIKey is LCRNRENPPDTGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O4/c11-6-2-1-3-7-12-10(14)8-4-5-9(17-8)13(15)16/h4-5H,1-3,6-7H2,(H,12,14).
What are the key properties of N-(5-bromopentyl)-5-nitrofuran-2-carboxamide?
N-(5-bromopentyl)-5-nitrofuran-2-carboxamide has a molecular weight of 305.13 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 107321741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).