5-bromo-3-butylfuran-2-carboxamide

C9H12BrNO2 — CID 170987109

IUPAC5-bromo-3-butylfuran-2-carboxamide
SMILESCCCCc1cc(Br)oc1C(N)=O
InChIInChI=1S/C9H12BrNO2/c1-2-3-4-6-5-7(10)13-8(6)9(11)12/h5H,2-4H2,1H3,(H2,11,12)
InChIKeyYZYMUVPXHYOVTR-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.48
Rot. Bonds4

About 5-bromo-3-butylfuran-2-carboxamide

5-bromo-3-butylfuran-2-carboxamide (PubChem CID 170987109) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 5-bromo-3-butylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-butylfuran-2-carboxamide
PubChem CID170987109
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name5-bromo-3-butylfuran-2-carboxamide
SMILESCCCCc1cc(Br)oc1C(N)=O
InChIInChI=1S/C9H12BrNO2/c1-2-3-4-6-5-7(10)13-8(6)9(11)12/h5H,2-4H2,1H3,(H2,11,12)
InChIKeyYZYMUVPXHYOVTR-UHFFFAOYSA-N
XLogP2.48
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibutylphthalic acid
CID 57316661
3-butyl-2-benzofuran-1-carboxamide
CID 150146544
4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774
1,4-dibromo-2-hexyl-5-pentylbenzene
CID 146208294
2-butylbenzamide
CID 15468173
methyl 3-(aminomethyl)-5-bromofuran-2-carboxylate;hydrochloride
CID 171338286
4-bromo-5-butyl-2-propylphenol
CID 118092192
2-bromo-5-butylpyridine-3-carboxamide
CID 173465828
2,3,8,9-tetrabutyltetracene
CID 102053257
4-butyl-1H-pyrazole-5-carboxamide
CID 141158124
2-bromo-4-hydroxy-7-pentylfuro[2,3-c]pyridine-5-carboxylic acid
CID 175144786
lithium;hydride;2,4,5-tributylbenzoic acid
CID 173424701

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-butylfuran-2-carboxamide?
The IUPAC name of 5-bromo-3-butylfuran-2-carboxamide (CID 170987109) is 5-bromo-3-butylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-3-butylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-3-butylfuran-2-carboxamide is CCCCc1cc(Br)oc1C(N)=O.
What is the InChIKey of 5-bromo-3-butylfuran-2-carboxamide?
The InChIKey is YZYMUVPXHYOVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-2-3-4-6-5-7(10)13-8(6)9(11)12/h5H,2-4H2,1H3,(H2,11,12).
What are the key properties of 5-bromo-3-butylfuran-2-carboxamide?
5-bromo-3-butylfuran-2-carboxamide has a molecular weight of 246.10 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-butylfuran-2-carboxamide is sourced from PubChem (CID 170987109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).