3-(4-chlorophenyl)-N,3-dihydroxypropanamide

C9H10ClNO3 — CID 72707667

IUPAC3-(4-chlorophenyl)-N,3-dihydroxypropanamide
SMILESO=C(CC(O)c1ccc(Cl)cc1)NO
InChIInChI=1S/C9H10ClNO3/c10-7-3-1-6(2-4-7)8(12)5-9(13)11-14/h1-4,8,12,14H,5H2,(H,11,13)
InChIKeyLNIGBUSWLZDUPU-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.27
Rot. Bonds3

About 3-(4-chlorophenyl)-N,3-dihydroxypropanamide

3-(4-chlorophenyl)-N,3-dihydroxypropanamide (PubChem CID 72707667) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N,3-dihydroxypropanamide
PubChem CID72707667
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name3-(4-chlorophenyl)-N,3-dihydroxypropanamide
SMILESO=C(CC(O)c1ccc(Cl)cc1)NO
InChIInChI=1S/C9H10ClNO3/c10-7-3-1-6(2-4-7)8(12)5-9(13)11-14/h1-4,8,12,14H,5H2,(H,11,13)
InChIKeyLNIGBUSWLZDUPU-UHFFFAOYSA-N
XLogP1.27
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N,3-dihydroxypropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N,3-dihydroxypropanamide (CID 72707667) is 3-(4-chlorophenyl)-N,3-dihydroxypropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N,3-dihydroxypropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N,3-dihydroxypropanamide is O=C(CC(O)c1ccc(Cl)cc1)NO.
What is the InChIKey of 3-(4-chlorophenyl)-N,3-dihydroxypropanamide?
The InChIKey is LNIGBUSWLZDUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c10-7-3-1-6(2-4-7)8(12)5-9(13)11-14/h1-4,8,12,14H,5H2,(H,11,13).
What are the key properties of 3-(4-chlorophenyl)-N,3-dihydroxypropanamide?
3-(4-chlorophenyl)-N,3-dihydroxypropanamide has a molecular weight of 215.64 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N,3-dihydroxypropanamide is sourced from PubChem (CID 72707667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).