N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chlorofuran-2-carboxamide

C8H10ClN3O3 — CID 106689262

IUPACN-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chlorofuran-2-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)o1)/C(N)=N/O
InChIInChI=1S/C8H10ClN3O3/c1-4(7(10)12-14)11-8(13)5-2-3-6(9)15-5/h2-4,14H,1H3,(H2,10,12)(H,11,13)
InChIKeyVLTURAIDRKNTET-UHFFFAOYSA-N
MW231.64 g/mol
LogP0.80
Rot. Bonds3

About N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chlorofuran-2-carboxamide

N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chlorofuran-2-carboxamide (PubChem CID 106689262) has the molecular formula C8H10ClN3O3 and a molecular weight of 231.64 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chlorofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chlorofuran-2-carboxamide
PubChem CID106689262
Molecular FormulaC8H10ClN3O3
Molecular Weight231.64 g/mol
Exact Mass231.04
IUPAC NameN-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chlorofuran-2-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)o1)/C(N)=N/O
InChIInChI=1S/C8H10ClN3O3/c1-4(7(10)12-14)11-8(13)5-2-3-6(9)15-5/h2-4,14H,1H3,(H2,10,12)(H,11,13)
InChIKeyVLTURAIDRKNTET-UHFFFAOYSA-N
XLogP0.80
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethylfuran-2-carboxamide
CID 79084469
N-[(2S)-1-aminopropan-2-yl]-5-chlorofuran-2-carboxamide
CID 120508521
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chloro-N-methylfuran-2-carboxamide
CID 106689304
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 77135183
(2S)-2-[(5-chlorofuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61144631
methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
CID 47337332
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide
CID 114022873
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974
5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 113221625
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide
CID 104979012
5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide
CID 113221636
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methylsulfanylbenzamide
CID 79206171

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chlorofuran-2-carboxamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chlorofuran-2-carboxamide (CID 106689262) is N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chlorofuran-2-carboxamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chlorofuran-2-carboxamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chlorofuran-2-carboxamide is CC(NC(=O)c1ccc(Cl)o1)/C(N)=N/O.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chlorofuran-2-carboxamide?
The InChIKey is VLTURAIDRKNTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3/c1-4(7(10)12-14)11-8(13)5-2-3-6(9)15-5/h2-4,14H,1H3,(H2,10,12)(H,11,13).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chlorofuran-2-carboxamide?
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chlorofuran-2-carboxamide has a molecular weight of 231.64 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chlorofuran-2-carboxamide is sourced from PubChem (CID 106689262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).