(3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide

C11H14ClNO3 — CID 45105064

IUPAC(3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide
SMILESO=C(C[C@@H](CCO)c1ccc(Cl)cc1)NO
InChIInChI=1S/C11H14ClNO3/c12-10-3-1-8(2-4-10)9(5-6-14)7-11(15)13-16/h1-4,9,14,16H,5-7H2,(H,13,15)/t9-/m1/s1
InChIKeyQBLNQHDMSLPBCU-SECBINFHSA-N
MW243.69 g/mol
LogP1.70
Rot. Bonds5

About (3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide

(3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide (PubChem CID 45105064) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide
PubChem CID45105064
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name(3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide
SMILESO=C(C[C@@H](CCO)c1ccc(Cl)cc1)NO
InChIInChI=1S/C11H14ClNO3/c12-10-3-1-8(2-4-10)9(5-6-14)7-11(15)13-16/h1-4,9,14,16H,5-7H2,(H,13,15)/t9-/m1/s1
InChIKeyQBLNQHDMSLPBCU-SECBINFHSA-N
XLogP1.70
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.70
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 (3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide?
The IUPAC name of (3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide (CID 45105064) is (3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide is O=C(C[C@@H](CCO)c1ccc(Cl)cc1)NO.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide?
The InChIKey is QBLNQHDMSLPBCU-SECBINFHSA-N. The full InChI is InChI=1S/C11H14ClNO3/c12-10-3-1-8(2-4-10)9(5-6-14)7-11(15)13-16/h1-4,9,14,16H,5-7H2,(H,13,15)/t9-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide?
(3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide has a molecular weight of 243.69 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide is sourced from PubChem (CID 45105064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).