(2R)-3-(4-chlorophenyl)-2-(oxan-4-ylamino)propanamide

C14H19ClN2O2 — CID 67518903

IUPAC(2R)-3-(4-chlorophenyl)-2-(oxan-4-ylamino)propanamide
SMILESNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC1CCOCC1
InChIInChI=1S/C14H19ClN2O2/c15-11-3-1-10(2-4-11)9-13(14(16)18)17-12-5-7-19-8-6-12/h1-4,12-13,17H,5-9H2,(H2,16,18)/t13-/m1/s1
InChIKeyHHFBZWCQTXQOAA-CYBMUJFWSA-N
MW282.77 g/mol
LogP1.50
Rot. Bonds5

About (2R)-3-(4-chlorophenyl)-2-(oxan-4-ylamino)propanamide

(2R)-3-(4-chlorophenyl)-2-(oxan-4-ylamino)propanamide (PubChem CID 67518903) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (2R)-3-(4-chlorophenyl)-2-(oxan-4-ylamino)propanamide.

Molecular Properties

Compound Name(2R)-3-(4-chlorophenyl)-2-(oxan-4-ylamino)propanamide
PubChem CID67518903
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(2R)-3-(4-chlorophenyl)-2-(oxan-4-ylamino)propanamide
SMILESNC(=O)[C@@H](Cc1ccc(Cl)cc1)NC1CCOCC1
InChIInChI=1S/C14H19ClN2O2/c15-11-3-1-10(2-4-11)9-13(14(16)18)17-12-5-7-19-8-6-12/h1-4,12-13,17H,5-9H2,(H2,16,18)/t13-/m1/s1
InChIKeyHHFBZWCQTXQOAA-CYBMUJFWSA-N
XLogP1.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-chlorophenyl)-2-(oxan-4-ylamino)propanamide?
The IUPAC name of (2R)-3-(4-chlorophenyl)-2-(oxan-4-ylamino)propanamide (CID 67518903) is (2R)-3-(4-chlorophenyl)-2-(oxan-4-ylamino)propanamide.
What is the SMILES notation for (2R)-3-(4-chlorophenyl)-2-(oxan-4-ylamino)propanamide?
The canonical SMILES for (2R)-3-(4-chlorophenyl)-2-(oxan-4-ylamino)propanamide is NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC1CCOCC1.
What is the InChIKey of (2R)-3-(4-chlorophenyl)-2-(oxan-4-ylamino)propanamide?
The InChIKey is HHFBZWCQTXQOAA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-11-3-1-10(2-4-11)9-13(14(16)18)17-12-5-7-19-8-6-12/h1-4,12-13,17H,5-9H2,(H2,16,18)/t13-/m1/s1.
What are the key properties of (2R)-3-(4-chlorophenyl)-2-(oxan-4-ylamino)propanamide?
(2R)-3-(4-chlorophenyl)-2-(oxan-4-ylamino)propanamide has a molecular weight of 282.77 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-chlorophenyl)-2-(oxan-4-ylamino)propanamide is sourced from PubChem (CID 67518903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).