(2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide

C16H16ClNO3 — CID 26179915

IUPAC(2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)NOCc1ccccc1
InChIInChI=1S/C16H16ClNO3/c1-12(21-15-9-7-14(17)8-10-15)16(19)18-20-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyZTERNUAALMUBDN-LBPRGKRZSA-N
MW305.76 g/mol
LogP3.36
Rot. Bonds6

About (2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide

(2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide (PubChem CID 26179915) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide
PubChem CID26179915
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)NOCc1ccccc1
InChIInChI=1S/C16H16ClNO3/c1-12(21-15-9-7-14(17)8-10-15)16(19)18-20-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyZTERNUAALMUBDN-LBPRGKRZSA-N
XLogP3.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide (CID 26179915) is (2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide is C[C@H](Oc1ccc(Cl)cc1)C(=O)NOCc1ccccc1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide?
The InChIKey is ZTERNUAALMUBDN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-12(21-15-9-7-14(17)8-10-15)16(19)18-20-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide?
(2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide has a molecular weight of 305.76 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide is sourced from PubChem (CID 26179915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).