(2S)-2-amino-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]propanamide;hydrochloride

C16H17Cl3N2O2 — CID 155541904

IUPAC(2S)-2-amino-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1.Cl
InChIInChI=1S/C16H16Cl2N2O2.ClH/c1-10(19)16(21)20-9-11-2-4-14(5-3-11)22-15-7-12(17)6-13(18)8-15;/h2-8,10H,9,19H2,1H3,(H,20,21);1H/t10-;/m0./s1
InChIKeyZOBVXCPBHIZKSK-PPHPATTJSA-N
MW375.68 g/mol
LogP4.17
Rot. Bonds5

About (2S)-2-amino-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]propanamide;hydrochloride

(2S)-2-amino-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]propanamide;hydrochloride (PubChem CID 155541904) has the molecular formula C16H17Cl3N2O2 and a molecular weight of 375.68 g/mol. Its IUPAC name is (2S)-2-amino-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]propanamide;hydrochloride
PubChem CID155541904
Molecular FormulaC16H17Cl3N2O2
Molecular Weight375.68 g/mol
Exact Mass374.04
IUPAC Name(2S)-2-amino-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1.Cl
InChIInChI=1S/C16H16Cl2N2O2.ClH/c1-10(19)16(21)20-9-11-2-4-14(5-3-11)22-15-7-12(17)6-13(18)8-15;/h2-8,10H,9,19H2,1H3,(H,20,21);1H/t10-;/m0./s1
InChIKeyZOBVXCPBHIZKSK-PPHPATTJSA-N
XLogP4.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.68
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]propanamide;hydrochloride (CID 155541904) is (2S)-2-amino-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]propanamide;hydrochloride is C[C@H](N)C(=O)NCc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is ZOBVXCPBHIZKSK-PPHPATTJSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2.ClH/c1-10(19)16(21)20-9-11-2-4-14(5-3-11)22-15-7-12(17)6-13(18)8-15;/h2-8,10H,9,19H2,1H3,(H,20,21);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]propanamide;hydrochloride?
(2S)-2-amino-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 375.68 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 155541904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).