N-(4-chlorophenyl)-3-hydroxyiminopropanamide

C9H9ClN2O2 — CID 2764778

IUPACN-(4-chlorophenyl)-3-hydroxyiminopropanamide
SMILESO=C(CC=NO)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O2/c10-7-1-3-8(4-2-7)12-9(13)5-6-11-14/h1-4,6,14H,5H2,(H,12,13)
InChIKeyFBCWOYVABPCLIL-UHFFFAOYSA-N
MW212.64 g/mol
LogP2.13
Rot. Bonds3

About N-(4-chlorophenyl)-3-hydroxyiminopropanamide

N-(4-chlorophenyl)-3-hydroxyiminopropanamide (PubChem CID 2764778) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-hydroxyiminopropanamide
PubChem CID2764778
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC NameN-(4-chlorophenyl)-3-hydroxyiminopropanamide
SMILESO=C(CC=NO)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O2/c10-7-1-3-8(4-2-7)12-9(13)5-6-11-14/h1-4,6,14H,5H2,(H,12,13)
InChIKeyFBCWOYVABPCLIL-UHFFFAOYSA-N
XLogP2.13
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide
CID 5371621
N,N'-bis(4-chlorophenyl)-3-oxopentanediamide
CID 12654887
N-(4-chlorophenyl)-2-isocyanoacetamide
CID 21020449
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-(4-chlorophenyl)-4,4,4-trifluorobutanamide
CID 155941225
3-chloro-N-(4-chlorophenyl)butanamide
CID 10681053
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
2-chloro-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 2782070
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-phenylacetamide
CID 35270563
N-(4-acetamidophenyl)-2-(4-chloroanilino)acetamide
CID 2604426
N-(4-chlorophenyl)-2-(cyclohexylamino)acetamide
CID 788648
N'-(4-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-hydroxyiminopropanamide?
The IUPAC name of N-(4-chlorophenyl)-3-hydroxyiminopropanamide (CID 2764778) is N-(4-chlorophenyl)-3-hydroxyiminopropanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-hydroxyiminopropanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-hydroxyiminopropanamide is O=C(CC=NO)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-hydroxyiminopropanamide?
The InChIKey is FBCWOYVABPCLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-7-1-3-8(4-2-7)12-9(13)5-6-11-14/h1-4,6,14H,5H2,(H,12,13).
What are the key properties of N-(4-chlorophenyl)-3-hydroxyiminopropanamide?
N-(4-chlorophenyl)-3-hydroxyiminopropanamide has a molecular weight of 212.64 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 2764778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).