2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide

C11H13BrN2O3 — CID 106854282

IUPAC2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1Br)C(=O)NC1CC1
InChIInChI=1S/C11H13BrN2O3/c1-6(10(15)14-7-2-3-7)13-11(16)8-4-5-17-9(8)12/h4-7H,2-3H2,1H3,(H,13,16)(H,14,15)
InChIKeyIQASWEGAJCSPMM-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.44
Rot. Bonds4

About 2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide

2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 106854282) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID106854282
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1Br)C(=O)NC1CC1
InChIInChI=1S/C11H13BrN2O3/c1-6(10(15)14-7-2-3-7)13-11(16)8-4-5-17-9(8)12/h4-7H,2-3H2,1H3,(H,13,16)(H,14,15)
InChIKeyIQASWEGAJCSPMM-UHFFFAOYSA-N
XLogP1.44
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 106687186
2-bromo-N-(1-cyclopropylethyl)furan-3-carboxamide
CID 106852619
2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide
CID 106853765
methyl 4-[(2-bromofuran-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 106855282
5-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 113407761
2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide
CID 106856169
2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide
CID 106856150
2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106854999
2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide
CID 106852600
(2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 106851080
2-bromo-N-(4-chlorobutan-2-yl)furan-3-carboxamide
CID 106856184
2-bromo-N-[cyano(cyclopropyl)methyl]furan-3-carboxamide
CID 106852140

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide (CID 106854282) is 2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1Br)C(=O)NC1CC1.
What is the InChIKey of 2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is IQASWEGAJCSPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-6(10(15)14-7-2-3-7)13-11(16)8-4-5-17-9(8)12/h4-7H,2-3H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide?
2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 301.14 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 106854282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).