3-(5-chloro-2-phenylmethoxyphenyl)-N,3-dihydroxypropanamide

C16H16ClNO4 — CID 132601482

IUPAC3-(5-chloro-2-phenylmethoxyphenyl)-N,3-dihydroxypropanamide
SMILESO=C(CC(O)c1cc(Cl)ccc1OCc1ccccc1)NO
InChIInChI=1S/C16H16ClNO4/c17-12-6-7-15(22-10-11-4-2-1-3-5-11)13(8-12)14(19)9-16(20)18-21/h1-8,14,19,21H,9-10H2,(H,18,20)
InChIKeyBGNASDWWZLEMPF-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.85
Rot. Bonds6

About 3-(5-chloro-2-phenylmethoxyphenyl)-N,3-dihydroxypropanamide

3-(5-chloro-2-phenylmethoxyphenyl)-N,3-dihydroxypropanamide (PubChem CID 132601482) has the molecular formula C16H16ClNO4 and a molecular weight of 321.76 g/mol. Its IUPAC name is 3-(5-chloro-2-phenylmethoxyphenyl)-N,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(5-chloro-2-phenylmethoxyphenyl)-N,3-dihydroxypropanamide
PubChem CID132601482
Molecular FormulaC16H16ClNO4
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC Name3-(5-chloro-2-phenylmethoxyphenyl)-N,3-dihydroxypropanamide
SMILESO=C(CC(O)c1cc(Cl)ccc1OCc1ccccc1)NO
InChIInChI=1S/C16H16ClNO4/c17-12-6-7-15(22-10-11-4-2-1-3-5-11)13(8-12)14(19)9-16(20)18-21/h1-8,14,19,21H,9-10H2,(H,18,20)
InChIKeyBGNASDWWZLEMPF-UHFFFAOYSA-N
XLogP2.85
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(5-chloro-2-phenylmethoxyphenyl)-N,3-dihydroxypropanamide?
The IUPAC name of 3-(5-chloro-2-phenylmethoxyphenyl)-N,3-dihydroxypropanamide (CID 132601482) is 3-(5-chloro-2-phenylmethoxyphenyl)-N,3-dihydroxypropanamide.
What is the SMILES notation for 3-(5-chloro-2-phenylmethoxyphenyl)-N,3-dihydroxypropanamide?
The canonical SMILES for 3-(5-chloro-2-phenylmethoxyphenyl)-N,3-dihydroxypropanamide is O=C(CC(O)c1cc(Cl)ccc1OCc1ccccc1)NO.
What is the InChIKey of 3-(5-chloro-2-phenylmethoxyphenyl)-N,3-dihydroxypropanamide?
The InChIKey is BGNASDWWZLEMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4/c17-12-6-7-15(22-10-11-4-2-1-3-5-11)13(8-12)14(19)9-16(20)18-21/h1-8,14,19,21H,9-10H2,(H,18,20).
What are the key properties of 3-(5-chloro-2-phenylmethoxyphenyl)-N,3-dihydroxypropanamide?
3-(5-chloro-2-phenylmethoxyphenyl)-N,3-dihydroxypropanamide has a molecular weight of 321.76 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-phenylmethoxyphenyl)-N,3-dihydroxypropanamide is sourced from PubChem (CID 132601482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).