N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide

C8H9ClN2O4 — CID 107260877

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C8H9ClN2O4/c9-6-2-1-5(15-6)8(14)11-3-4(12)7(10)13/h1-2,4,12H,3H2,(H2,10,13)(H,11,14)
InChIKeyURMDCDOUWHEIQR-UHFFFAOYSA-N
MW232.62 g/mol
LogP-0.49
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide (PubChem CID 107260877) has the molecular formula C8H9ClN2O4 and a molecular weight of 232.62 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide
PubChem CID107260877
Molecular FormulaC8H9ClN2O4
Molecular Weight232.62 g/mol
Exact Mass232.03
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C8H9ClN2O4/c9-6-2-1-5(15-6)8(14)11-3-4(12)7(10)13/h1-2,4,12H,3H2,(H2,10,13)(H,11,14)
InChIKeyURMDCDOUWHEIQR-UHFFFAOYSA-N
XLogP-0.49
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.62
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66165991
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974
N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide
CID 106166165
N-(2-bromobutyl)-5-chlorofuran-2-carboxamide
CID 106690154
5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide
CID 110888741
3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883681
5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 106689982
5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide
CID 111566061
3-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107261200
3-[[(5-chlorofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 81065294
N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 106166308
3-[[(5-chlorofuran-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65493090

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide (CID 107260877) is N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide is NC(=O)C(O)CNC(=O)c1ccc(Cl)o1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide?
The InChIKey is URMDCDOUWHEIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O4/c9-6-2-1-5(15-6)8(14)11-3-4(12)7(10)13/h1-2,4,12H,3H2,(H2,10,13)(H,11,14).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide has a molecular weight of 232.62 g/mol, XLogP of -0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide is sourced from PubChem (CID 107260877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).