N-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide

C10H14BrNO2 — CID 114823351

IUPACN-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(C)CCBr)co1
InChIInChI=1S/C10H14BrNO2/c1-7(3-4-11)12-10(13)9-5-8(2)14-6-9/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyYPTNCSCOHXVBNM-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.49
Rot. Bonds4

About N-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide

N-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide (PubChem CID 114823351) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is N-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide
PubChem CID114823351
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC NameN-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(C)CCBr)co1
InChIInChI=1S/C10H14BrNO2/c1-7(3-4-11)12-10(13)9-5-8(2)14-6-9/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyYPTNCSCOHXVBNM-UHFFFAOYSA-N
XLogP2.49
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromobutan-2-yl)-4-methylbenzamide
CID 83180516
5-methyl-N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 114820799
N-(1-iodo-3-methylbutan-2-yl)-5-methylfuran-3-carboxamide
CID 107860051
(2R)-3-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
CID 1273432
N-but-3-yn-2-yl-5-methylfuran-3-carboxamide
CID 114822800
N-(1-cyanoethyl)-5-methylfuran-3-carboxamide
CID 114820587
2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid
CID 114818817
(2S)-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
CID 104978924
N-(4-bromobutan-2-yl)-4-fluoro-3-methylbenzamide
CID 83178455
5-bromo-N-(4-bromobutan-2-yl)thiophene-3-carboxamide
CID 107966213
N-(1-amino-1-sulfanylidenepentan-2-yl)-5-methylfuran-3-carboxamide
CID 114820691
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide
CID 104979012

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide (CID 114823351) is N-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NC(C)CCBr)co1.
What is the InChIKey of N-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide?
The InChIKey is YPTNCSCOHXVBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-7(3-4-11)12-10(13)9-5-8(2)14-6-9/h5-7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of N-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide?
N-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide has a molecular weight of 260.13 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutan-2-yl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114823351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).