N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide

C9H11ClN2O3 — CID 106686516

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide
SMILESCC(C)(NC(=O)c1ccoc1Cl)C(N)=O
InChIInChI=1S/C9H11ClN2O3/c1-9(2,8(11)14)12-7(13)5-3-4-15-6(5)10/h3-4H,1-2H3,(H2,11,14)(H,12,13)
InChIKeyCPVHHTXALRJGKF-UHFFFAOYSA-N
MW230.65 g/mol
LogP0.93
Rot. Bonds3

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide (PubChem CID 106686516) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide
PubChem CID106686516
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide
SMILESCC(C)(NC(=O)c1ccoc1Cl)C(N)=O
InChIInChI=1S/C9H11ClN2O3/c1-9(2,8(11)14)12-7(13)5-3-4-15-6(5)10/h3-4H,1-2H3,(H2,11,14)(H,12,13)
InChIKeyCPVHHTXALRJGKF-UHFFFAOYSA-N
XLogP0.93
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide
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N-(1-bromo-2-methylpropan-2-yl)-2-chlorofuran-3-carboxamide
CID 106690034
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide
CID 106688596
2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide
CID 106687245
2-[(2-chlorofuran-3-carbonyl)amino]-2-ethylbutanoic acid
CID 106683547
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-chlorobenzamide
CID 115540469
2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide
CID 106687305
2-chloro-N-(2-methylpropoxy)furan-3-carboxamide
CID 106688367
3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 106683586
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chloropyridine-4-carboxamide
CID 61217075
2-chloro-N-(2-methoxy-2-methylpropyl)furan-3-carboxamide
CID 106687227
2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide
CID 106687009

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide (CID 106686516) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide is CC(C)(NC(=O)c1ccoc1Cl)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide?
The InChIKey is CPVHHTXALRJGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c1-9(2,8(11)14)12-7(13)5-3-4-15-6(5)10/h3-4H,1-2H3,(H2,11,14)(H,12,13).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide has a molecular weight of 230.65 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106686516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).