(2R)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide

C17H19ClN2O3 — CID 11382066

IUPAC(2R)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide
SMILESNC(=O)[C@@H](CO)NCc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O3/c18-14-3-1-2-13(8-14)11-23-15-6-4-12(5-7-15)9-20-16(10-21)17(19)22/h1-8,16,20-21H,9-11H2,(H2,19,22)/t16-/m1/s1
InChIKeyWYDCYPPIJUASJE-MRXNPFEDSA-N
MW334.80 g/mol
LogP1.85
Rot. Bonds8

About (2R)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide

(2R)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide (PubChem CID 11382066) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is (2R)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide
PubChem CID11382066
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name(2R)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide
SMILESNC(=O)[C@@H](CO)NCc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O3/c18-14-3-1-2-13(8-14)11-23-15-6-4-12(5-7-15)9-20-16(10-21)17(19)22/h1-8,16,20-21H,9-11H2,(H2,19,22)/t16-/m1/s1
InChIKeyWYDCYPPIJUASJE-MRXNPFEDSA-N
XLogP1.85
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide?
The IUPAC name of (2R)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide (CID 11382066) is (2R)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide.
What is the SMILES notation for (2R)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide?
The canonical SMILES for (2R)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide is NC(=O)[C@@H](CO)NCc1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of (2R)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide?
The InChIKey is WYDCYPPIJUASJE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c18-14-3-1-2-13(8-14)11-23-15-6-4-12(5-7-15)9-20-16(10-21)17(19)22/h1-8,16,20-21H,9-11H2,(H2,19,22)/t16-/m1/s1.
What are the key properties of (2R)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide?
(2R)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide has a molecular weight of 334.80 g/mol, XLogP of 1.85, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-3-hydroxypropanamide is sourced from PubChem (CID 11382066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).